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

C13H11ClN6OS2 — CID 9457658

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNn1cnnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H11ClN6OS2/c14-9-3-1-8(2-4-9)10-5-22-12(17-10)18-11(21)6-23-13-19-16-7-20(13)15/h1-5,7H,6,15H2,(H,17,18,21)
InChIKeyNGBNOARUWXPCIA-UHFFFAOYSA-N
MW366.86 g/mol
LogP2.50
Rot. Bonds5

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

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 9457658) has the molecular formula C13H11ClN6OS2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID9457658
Molecular FormulaC13H11ClN6OS2
Molecular Weight366.86 g/mol
Exact Mass366.01
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNn1cnnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H11ClN6OS2/c14-9-3-1-8(2-4-9)10-5-22-12(17-10)18-11(21)6-23-13-19-16-7-20(13)15/h1-5,7H,6,15H2,(H,17,18,21)
InChIKeyNGBNOARUWXPCIA-UHFFFAOYSA-N
XLogP2.50
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 9457658) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is Nn1cnnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NGBNOARUWXPCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6OS2/c14-9-3-1-8(2-4-9)10-5-22-12(17-10)18-11(21)6-23-13-19-16-7-20(13)15/h1-5,7H,6,15H2,(H,17,18,21).
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 366.86 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9457658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).