5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C16H18N4O2S2 — CID 46327943

IUPAC5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(CSc1nnc(C(=O)Nc2ccccc2)s1)NC1CCCC1
InChIInChI=1S/C16H18N4O2S2/c21-13(17-11-8-4-5-9-11)10-23-16-20-19-15(24-16)14(22)18-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,17,21)(H,18,22)
InChIKeyLKCDVOKAUCOAAK-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.94
Rot. Bonds6

About 5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46327943) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID46327943
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(CSc1nnc(C(=O)Nc2ccccc2)s1)NC1CCCC1
InChIInChI=1S/C16H18N4O2S2/c21-13(17-11-8-4-5-9-11)10-23-16-20-19-15(24-16)14(22)18-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,17,21)(H,18,22)
InChIKeyLKCDVOKAUCOAAK-UHFFFAOYSA-N
XLogP2.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46327775
N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 7191169
5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46330926
5-[2-[(4-ethylphenyl)methylamino]-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46327993
N-cyclohexyl-2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5132751
N-cyclopropyl-2-[[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2513599
5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46327945
N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2823503
N-cyclopropyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7378189
(3S)-N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 41105895
5-[(3S)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890650
N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 7820287

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 46327943) is 5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide is O=C(CSc1nnc(C(=O)Nc2ccccc2)s1)NC1CCCC1.
What is the InChIKey of 5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LKCDVOKAUCOAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c21-13(17-11-8-4-5-9-11)10-23-16-20-19-15(24-16)14(22)18-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,17,21)(H,18,22).
What are the key properties of 5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46327943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).