N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C10H12N4O3S3 — CID 110733668

IUPACN-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2cccs2)s1
InChIInChI=1S/C10H12N4O3S3/c1-7(15)11-9-12-13-10(19-9)20(16,17)14(2)6-8-4-3-5-18-8/h3-5H,6H2,1-2H3,(H,11,12,15)
InChIKeyQQAWVCCLZFSVSN-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.38
Rot. Bonds5

About N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110733668) has the molecular formula C10H12N4O3S3 and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110733668
Molecular FormulaC10H12N4O3S3
Molecular Weight332.43 g/mol
Exact Mass332.01
IUPAC NameN-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2cccs2)s1
InChIInChI=1S/C10H12N4O3S3/c1-7(15)11-9-12-13-10(19-9)20(16,17)14(2)6-8-4-3-5-18-8/h3-5H,6H2,1-2H3,(H,11,12,15)
InChIKeyQQAWVCCLZFSVSN-UHFFFAOYSA-N
XLogP1.38
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 22518188
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
CID 167806334
N-[5-[methyl(1,3-thiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110723460
N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110726801
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 55382535
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
(2S)-N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 51460579
N-[5-[(3,4-dimethoxyphenyl)methyl-methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 20921616
N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22518170
N-[5-[(3,4-dimethoxyphenyl)methyl-methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 20921621

Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110733668) is N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2cccs2)s1.
What is the InChIKey of N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QQAWVCCLZFSVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S3/c1-7(15)11-9-12-13-10(19-9)20(16,17)14(2)6-8-4-3-5-18-8/h3-5H,6H2,1-2H3,(H,11,12,15).
What are the key properties of N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110733668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).