N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide

C13H13N5O3S — CID 9403203

IUPACN-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C13H13N5O3S/c1-7(19)14-9-3-5-10(6-4-9)15-11(20)12(21)16-13-18-17-8(2)22-13/h3-6H,1-2H3,(H,14,19)(H,15,20)(H,16,18,21)
InChIKeyHQBSDPUHGOLZBI-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.38
Rot. Bonds3

About N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide

N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide (PubChem CID 9403203) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
PubChem CID9403203
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC NameN-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C13H13N5O3S/c1-7(19)14-9-3-5-10(6-4-9)15-11(20)12(21)16-13-18-17-8(2)22-13/h3-6H,1-2H3,(H,14,19)(H,15,20)(H,16,18,21)
InChIKeyHQBSDPUHGOLZBI-UHFFFAOYSA-N
XLogP1.38
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Succinamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N'-phenyl-
CID 1390721
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-phenylacetamide
CID 1860187
N1-(5-isobutyl-1,3,4-thiadiazol-2-yl)-N4-phenylsuccinamide
CID 944343
5-Methyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 762828
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1477404
2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1361150
N-phenyl-2-{5-[(phenylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}acetamide
CID 1873525
N~2~-(5-ethyl-1,3,4-thiadiazol-2-yl)-N~1~-phenylpyrrolidine-1,2-dicarboxamide
CID 4919394
N1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N4-phenylsuccinamide
CID 663467
1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 825376
N-(4-Fluoro-phenyl)-N'-(5-isobutyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1399856
N-(4-fluorophenyl)-N'-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 663975

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide?
The IUPAC name of N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide (CID 9403203) is N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide?
The canonical SMILES for N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide?
The InChIKey is HQBSDPUHGOLZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c1-7(19)14-9-3-5-10(6-4-9)15-11(20)12(21)16-13-18-17-8(2)22-13/h3-6H,1-2H3,(H,14,19)(H,15,20)(H,16,18,21).
What are the key properties of N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide?
N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide has a molecular weight of 319.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide is sourced from PubChem (CID 9403203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).