N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide

C10H10N4O3S2 — CID 9376635

IUPACN-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide
SMILESCn1c(SCC(=O)NC(=O)c2cccs2)n[nH]c1=O
InChIInChI=1S/C10H10N4O3S2/c1-14-9(17)12-13-10(14)19-5-7(15)11-8(16)6-3-2-4-18-6/h2-4H,5H2,1H3,(H,12,17)(H,11,15,16)
InChIKeyJNDIKQMVXJMRQH-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.22
Rot. Bonds4

About N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide

N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide (PubChem CID 9376635) has the molecular formula C10H10N4O3S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide
PubChem CID9376635
Molecular FormulaC10H10N4O3S2
Molecular Weight298.35 g/mol
Exact Mass298.02
IUPAC NameN-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide
SMILESCn1c(SCC(=O)NC(=O)c2cccs2)n[nH]c1=O
InChIInChI=1S/C10H10N4O3S2/c1-14-9(17)12-13-10(14)19-5-7(15)11-8(16)6-3-2-4-18-6/h2-4H,5H2,1H3,(H,12,17)(H,11,15,16)
InChIKeyJNDIKQMVXJMRQH-UHFFFAOYSA-N
XLogP0.22
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide (CID 9376635) is N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide is Cn1c(SCC(=O)NC(=O)c2cccs2)n[nH]c1=O.
What is the InChIKey of N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide?
The InChIKey is JNDIKQMVXJMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S2/c1-14-9(17)12-13-10(14)19-5-7(15)11-8(16)6-3-2-4-18-6/h2-4H,5H2,1H3,(H,12,17)(H,11,15,16).
What are the key properties of N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide?
N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carboxamide is sourced from PubChem (CID 9376635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).