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

C10H10ClN5OS — CID 3814267

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
SMILESNn1cnnc1SCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H10ClN5OS/c11-7-2-1-3-8(4-7)14-9(17)5-18-10-15-13-6-16(10)12/h1-4,6H,5,12H2,(H,14,17)
InChIKeyYRIVWTXTHJPCBC-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.38
Rot. Bonds4

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

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide (PubChem CID 3814267) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
PubChem CID3814267
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
SMILESNn1cnnc1SCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H10ClN5OS/c11-7-2-1-3-8(4-7)14-9(17)5-18-10-15-13-6-16(10)12/h1-4,6H,5,12H2,(H,14,17)
InChIKeyYRIVWTXTHJPCBC-UHFFFAOYSA-N
XLogP1.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
CID 328377
N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
N-(2,4-difluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 703294
N-(3-chlorophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 895833
N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 701400
N-(3,4-dichlorophenyl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 712247
3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
CID 738845
N-(2,6-dichlorophenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 901004
N-[4-(acetylamino)phenyl]-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2223265
3-(4-chlorophenyl)-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
CID 5524537
N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 712474
N-(4-acetamidophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 861930

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide (CID 3814267) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide is Nn1cnnc1SCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
The InChIKey is YRIVWTXTHJPCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c11-7-2-1-3-8(4-7)14-9(17)5-18-10-15-13-6-16(10)12/h1-4,6H,5,12H2,(H,14,17).
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide has a molecular weight of 283.74 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 3814267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).