(3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide

C19H22N4O2S — CID 100815681

IUPAC(3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2snnc2C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C19H22N4O2S/c1-12-4-6-13(7-5-12)17-16(21-22-26-17)19(25)23-10-2-3-14(11-23)18(24)20-15-8-9-15/h4-7,14-15H,2-3,8-11H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyOAOKMFWNTHWAQM-AWEZNQCLSA-N
MW370.48 g/mol
LogP2.64
Rot. Bonds4

About (3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 100815681) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID100815681
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2snnc2C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C19H22N4O2S/c1-12-4-6-13(7-5-12)17-16(21-22-26-17)19(25)23-10-2-3-14(11-23)18(24)20-15-8-9-15/h4-7,14-15H,2-3,8-11H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyOAOKMFWNTHWAQM-AWEZNQCLSA-N
XLogP2.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide
CID 100815680
(3S)-N-cyclopropyl-1-(5-phenylthiadiazole-4-carbonyl)piperidine-3-carboxamide
CID 100815683
5-[(3R)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890519
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
N-cyclopropyl-1-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl)piperidine-3-carboxamide
CID 49351637
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055724
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate
CID 94367293
1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953801

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide (CID 100815681) is (3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide is Cc1ccc(-c2snnc2C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is OAOKMFWNTHWAQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-4-6-13(7-5-12)17-16(21-22-26-17)19(25)23-10-2-3-14(11-23)18(24)20-15-8-9-15/h4-7,14-15H,2-3,8-11H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.64, 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-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 100815681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).