2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C15H11N5OS2 — CID 78813569

IUPAC2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H11N5OS2/c21-14(10-9-23-15(17-10)11-4-3-7-22-11)16-8-13-19-18-12-5-1-2-6-20(12)13/h1-7,9H,8H2,(H,16,21)
InChIKeyMZHLPLJOELTCBL-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.84
Rot. Bonds4

About 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 78813569) has the molecular formula C15H11N5OS2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID78813569
Molecular FormulaC15H11N5OS2
Molecular Weight341.42 g/mol
Exact Mass341.04
IUPAC Name2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H11N5OS2/c21-14(10-9-23-15(17-10)11-4-3-7-22-11)16-8-13-19-18-12-5-1-2-6-20(12)13/h1-7,9H,8H2,(H,16,21)
InChIKeyMZHLPLJOELTCBL-UHFFFAOYSA-N
XLogP2.84
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-pyrimidin-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 87008786
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 107260979
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
2-propyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,3-thiazole-4-carboxamide
CID 118782263
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 32637038
2-(1-methylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47047887
6-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 30602417
(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 61151765
(2S)-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanedioic acid
CID 112733132

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 78813569) is 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1nnc2ccccn12)c1csc(-c2cccs2)n1.
What is the InChIKey of 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MZHLPLJOELTCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS2/c21-14(10-9-23-15(17-10)11-4-3-7-22-11)16-8-13-19-18-12-5-1-2-6-20(12)13/h1-7,9H,8H2,(H,16,21).
What are the key properties of 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78813569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).