2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide

C13H11N5O2S2 — CID 2622550

IUPAC2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C13H11N5O2S2/c14-11(20)8-4-6-21-12(8)15-10(19)7-22-13-17-16-9-3-1-2-5-18(9)13/h1-6H,7H2,(H2,14,20)(H,15,19)
InChIKeyHZQLAUWDSRCRKK-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.62
Rot. Bonds5

About 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide

2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 2622550) has the molecular formula C13H11N5O2S2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
PubChem CID2622550
Molecular FormulaC13H11N5O2S2
Molecular Weight333.40 g/mol
Exact Mass333.04
IUPAC Name2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C13H11N5O2S2/c14-11(20)8-4-6-21-12(8)15-10(19)7-22-13-17-16-9-3-1-2-5-18(9)13/h1-6H,7H2,(H2,14,20)(H,15,19)
InChIKeyHZQLAUWDSRCRKK-UHFFFAOYSA-N
XLogP1.62
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide (CID 2622550) is 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CSc1nnc2ccccn12.
What is the InChIKey of 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is HZQLAUWDSRCRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S2/c14-11(20)8-4-6-21-12(8)15-10(19)7-22-13-17-16-9-3-1-2-5-18(9)13/h1-6H,7H2,(H2,14,20)(H,15,19).
What are the key properties of 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2622550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).