2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C20H19N5OS2 — CID 655535

IUPAC2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)sc1C
InChIInChI=1S/C20H19N5OS2/c1-13-14(2)28-19(22-13)24-17(26)12-27-20-23-16-9-6-10-21-18(16)25(20)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,22,24,26)
InChIKeyGQZMMUDTOIGKFJ-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.28
Rot. Bonds6

About 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 655535) has the molecular formula C20H19N5OS2 and a molecular weight of 409.54 g/mol. Its IUPAC name is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID655535
Molecular FormulaC20H19N5OS2
Molecular Weight409.54 g/mol
Exact Mass409.10
IUPAC Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)sc1C
InChIInChI=1S/C20H19N5OS2/c1-13-14(2)28-19(22-13)24-17(26)12-27-20-23-16-9-6-10-21-18(16)25(20)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,22,24,26)
InChIKeyGQZMMUDTOIGKFJ-UHFFFAOYSA-N
XLogP4.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 655535) is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)sc1C.
What is the InChIKey of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GQZMMUDTOIGKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS2/c1-13-14(2)28-19(22-13)24-17(26)12-27-20-23-16-9-6-10-21-18(16)25(20)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,22,24,26).
What are the key properties of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 409.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 655535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).