2-(3-methoxyphenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine|2-(3-methoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine|2-(3-methoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

General Information

Structure

Molecular Formula

C₁₃H₁₄N₂OS

Molecular Mass

246.32806

Exact Mass

246.08268408

Charge

InChI

InChI=1S/C13H14N2OS/c1-16-10-4-2-3-9(7-10)13-15-11-5-6-14-8-12(11)17-13/h2-4,7,14H,5-6,8H2,1H3

InChIKey

JEPWDAKNSJPEOP-UHFFFAOYSA-N

Canonic Smiles

COc1cccc(c1)c1nc2c(s1)CNCC2

Isomeric Smiles

n1c(sc2c1CCNC2)c1cc(OC)ccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.5891392

LogD (pH = 7.4)

1.061965

Log P

2.2596378

Molar Refractivity

78.5951

Polarizability

27.131886

Polar Surface Area

34.15

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2-(3-methoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

IUPAC Traditional name

2-(3-methoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

Synonyms

2-(3-methoxyphenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine

Names and Identifiers

Registration numbers

PubChem SID

162216731

PubChem CID

16394899

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:122378