2-(4-methoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine|2-(4-methoxyphenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine|2-(4-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/c1-16-10-4-2-9(3-5-10)13-15-11-6-7-14-8-12(11)17-13/h2-5,14H,6-8H2,1H3

InChIKey

GEQMHENQJVGRPN-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)c1nc2c(s1)CNCC2

Isomeric Smiles

n1c(sc2c1CCNC2)c1ccc(cc1)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.5992464

LogD (pH = 7.4)

1.0460554

Log P

2.2596378

Molar Refractivity

78.5951

Polarizability

27.128122

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 Traditional name

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

Synonyms

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

IUPAC name

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

Names and Identifiers

Registration numbers

PubChem SID

162216734

PubChem CID

16394902

Registration numbers

Properties

No Data Available

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Related Proteins

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Molecular Spectra

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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:122381