2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C12H11N7OS2 — CID 7579802

IUPAC2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESNn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccn1
InChIInChI=1S/C12H11N7OS2/c13-19-10(8-3-1-2-4-14-8)17-18-12(19)22-7-9(20)16-11-15-5-6-21-11/h1-6H,7,13H2,(H,15,16,20)
InChIKeyCCKKWQKOAFLEBM-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.24
Rot. Bonds5

About 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 7579802) has the molecular formula C12H11N7OS2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID7579802
Molecular FormulaC12H11N7OS2
Molecular Weight333.40 g/mol
Exact Mass333.05
IUPAC Name2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESNn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccn1
InChIInChI=1S/C12H11N7OS2/c13-19-10(8-3-1-2-4-14-8)17-18-12(19)22-7-9(20)16-11-15-5-6-21-11/h1-6H,7,13H2,(H,15,16,20)
InChIKeyCCKKWQKOAFLEBM-UHFFFAOYSA-N
XLogP1.24
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin-3-amine
CID 10308455
2-(2-((6-methylpyridin-2-yl)amino)thiazol-4-yl)-N-(5-methylthiazol-2-yl)acetamide
CID 49677967
N-phenyl-2-{[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6461823
2-Amino-5-thio-substituted thiazole 61
CID 5329697
2-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]-N-(Pyridin-2-Yl)-1,3-Thiazole-4-Carboxamide
CID 124222752
2-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 645763
2-(4-Amino-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetamide
CID 934561
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1155032
2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 7207400
N-[4'-methyl-2-(2-pyridinylamino)-4,5'-bi-1,3-thiazol-2'-yl]propanamide
CID 755435
2-[5-(Benzothiazol-2-ylsulfanylmethyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-pyridin-2-ylmethyl-acetamide
CID 1629837
2-(4-Ethyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 648381

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 7579802) is 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Nn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccn1.
What is the InChIKey of 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CCKKWQKOAFLEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7OS2/c13-19-10(8-3-1-2-4-14-8)17-18-12(19)22-7-9(20)16-11-15-5-6-21-11/h1-6H,7,13H2,(H,15,16,20).
What are the key properties of 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 333.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7579802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).