(3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide

C18H20N4O2S — CID 100815683

IUPAC(3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C(=O)c2nnsc2-c2ccccc2)C1
InChIInChI=1S/C18H20N4O2S/c23-17(19-14-8-9-14)13-7-4-10-22(11-13)18(24)15-16(25-21-20-15)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,19,23)/t13-/m0/s1
InChIKeyIFLNCNLOHYHXJA-ZDUSSCGKSA-N
MW356.45 g/mol
LogP2.34
Rot. Bonds4

About (3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 100815683) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID100815683
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name(3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C(=O)c2nnsc2-c2ccccc2)C1
InChIInChI=1S/C18H20N4O2S/c23-17(19-14-8-9-14)13-7-4-10-22(11-13)18(24)15-16(25-21-20-15)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,19,23)/t13-/m0/s1
InChIKeyIFLNCNLOHYHXJA-ZDUSSCGKSA-N
XLogP2.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide
CID 100815681
(3R)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide
CID 100815680
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
N-cyclopropyl-1-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl)piperidine-3-carboxamide
CID 49351637
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46330746
5-[(3S)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890650
1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide
CID 102551779
[(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
CID 95739175
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate
CID 94367293

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide (CID 100815683) is (3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide is O=C(NC1CC1)[C@H]1CCCN(C(=O)c2nnsc2-c2ccccc2)C1.
What is the InChIKey of (3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is IFLNCNLOHYHXJA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-17(19-14-8-9-14)13-7-4-10-22(11-13)18(24)15-16(25-21-20-15)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,19,23)/t13-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 100815683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).