N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C14H14N4O2S2 — CID 1470577

IUPACN-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(CSc1nnc(NC(=O)C2CC2)s1)Nc1ccccc1
InChIInChI=1S/C14H14N4O2S2/c19-11(15-10-4-2-1-3-5-10)8-21-14-18-17-13(22-14)16-12(20)9-6-7-9/h1-5,9H,6-8H2,(H,15,19)(H,16,17,20)
InChIKeyNCSXVALJBHFKMK-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.62
Rot. Bonds6

About N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 1470577) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID1470577
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC NameN-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(CSc1nnc(NC(=O)C2CC2)s1)Nc1ccccc1
InChIInChI=1S/C14H14N4O2S2/c19-11(15-10-4-2-1-3-5-10)8-21-14-18-17-13(22-14)16-12(20)9-6-7-9/h1-5,9H,6-8H2,(H,15,19)(H,16,17,20)
InChIKeyNCSXVALJBHFKMK-UHFFFAOYSA-N
XLogP2.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 698762
Succinamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N'-phenyl-
CID 1390721
1-(4-Iodophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 155545564
2-methyl-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 1547874
2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-one
CID 3631501
N-(5-((2-((3,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 4345257
N-{5-[Ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-2-methylpropanamide
CID 22517984
N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-N'-phenylbutanediamide
CID 944343
1-(4-Fluorophenyl)-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea
CID 660229
1-Phenyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 660808
N-(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
CID 980311
Cyclopropanecarboxylic acid {5-[(3,4-dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]thiadiazol-2-yl}-amide
CID 1470600

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 1470577) is N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is O=C(CSc1nnc(NC(=O)C2CC2)s1)Nc1ccccc1.
What is the InChIKey of N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is NCSXVALJBHFKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c19-11(15-10-4-2-1-3-5-10)8-21-14-18-17-13(22-14)16-12(20)9-6-7-9/h1-5,9H,6-8H2,(H,15,19)(H,16,17,20).
What are the key properties of N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 334.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1470577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).