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

C19H18N6OS2 — CID 3214173

IUPAC2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)s1
InChIInChI=1S/C19H18N6OS2/c1-2-16-23-24-18(28-16)22-15(26)12-27-19-21-14-9-6-10-20-17(14)25(19)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,22,24,26)
InChIKeyTVZRJQBQOACIQC-UHFFFAOYSA-N
MW410.53 g/mol
LogP3.62
Rot. Bonds7

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

2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3214173) has the molecular formula C19H18N6OS2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3214173
Molecular FormulaC19H18N6OS2
Molecular Weight410.53 g/mol
Exact Mass410.10
IUPAC Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)s1
InChIInChI=1S/C19H18N6OS2/c1-2-16-23-24-18(28-16)22-15(26)12-27-19-21-14-9-6-10-20-17(14)25(19)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,22,24,26)
InChIKeyTVZRJQBQOACIQC-UHFFFAOYSA-N
XLogP3.62
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3214173) is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)s1.
What is the InChIKey of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is TVZRJQBQOACIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS2/c1-2-16-23-24-18(28-16)22-15(26)12-27-19-21-14-9-6-10-20-17(14)25(19)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,22,24,26).
What are the key properties of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 410.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3214173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).