2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole

C16H12N4S — CID 139068907

IUPAC2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole
SMILESc1ccc(-c2csc(Cc3nc4ncccc4[nH]3)n2)cc1
InChIInChI=1S/C16H12N4S/c1-2-5-11(6-3-1)13-10-21-15(19-13)9-14-18-12-7-4-8-17-16(12)20-14/h1-8,10H,9H2,(H,17,18,20)
InChIKeyGWAWAHUMXBRPIW-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.67
Rot. Bonds3

About 2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole

2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole (PubChem CID 139068907) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole
PubChem CID139068907
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole
SMILESc1ccc(-c2csc(Cc3nc4ncccc4[nH]3)n2)cc1
InChIInChI=1S/C16H12N4S/c1-2-5-11(6-3-1)13-10-21-15(19-13)9-14-18-12-7-4-8-17-16(12)20-14/h1-8,10H,9H2,(H,17,18,20)
InChIKeyGWAWAHUMXBRPIW-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole (CID 139068907) is 2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole is c1ccc(-c2csc(Cc3nc4ncccc4[nH]3)n2)cc1.
What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole?
The InChIKey is GWAWAHUMXBRPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-2-5-11(6-3-1)13-10-21-15(19-13)9-14-18-12-7-4-8-17-16(12)20-14/h1-8,10H,9H2,(H,17,18,20).
What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole?
2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole has a molecular weight of 292.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 139068907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).