2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

C11H12N6OS2 — CID 2390274

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CSc2n[nH]c(N)n2)c(C#N)c1C
InChIInChI=1S/C11H12N6OS2/c1-5-6(2)20-9(7(5)3-12)14-8(18)4-19-11-15-10(13)16-17-11/h4H2,1-2H3,(H,14,18)(H3,13,15,16,17)
InChIKeyOXCUVJKFSGXLHZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.67
Rot. Bonds4

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (PubChem CID 2390274) has the molecular formula C11H12N6OS2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
PubChem CID2390274
Molecular FormulaC11H12N6OS2
Molecular Weight308.39 g/mol
Exact Mass308.05
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CSc2n[nH]c(N)n2)c(C#N)c1C
InChIInChI=1S/C11H12N6OS2/c1-5-6(2)20-9(7(5)3-12)14-8(18)4-19-11-15-10(13)16-17-11/h4H2,1-2H3,(H,14,18)(H3,13,15,16,17)
InChIKeyOXCUVJKFSGXLHZ-UHFFFAOYSA-N
XLogP1.67
TPSA120.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide with MolForge

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Related Compounds

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 2815964
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 838555
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 972733
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-7,7-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-6H-1-benzothiophen-2-yl]acetamide
CID 2083967
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212922
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212935
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-acetamide
CID 3158334
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3212918
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212971
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 728116
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 861931
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2241606

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (CID 2390274) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)CSc2n[nH]c(N)n2)c(C#N)c1C.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The InChIKey is OXCUVJKFSGXLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS2/c1-5-6(2)20-9(7(5)3-12)14-8(18)4-19-11-15-10(13)16-17-11/h4H2,1-2H3,(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide has a molecular weight of 308.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 2390274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).