1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C15H22N4O2S — CID 120635830

IUPAC1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)Nc2nccs2)CCN1
InChIInChI=1S/C15H22N4O2S/c1-10-9-11(4-5-16-10)14(21)19-7-2-3-12(19)13(20)18-15-17-6-8-22-15/h6,8,10-12,16H,2-5,7,9H2,1H3,(H,17,18,20)/t10-,11-,12?/m0/s1
InChIKeyCTSRJPNMNUFRLI-NDQFZYFBSA-N
MW322.43 g/mol
LogP1.46
Rot. Bonds3

About 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 120635830) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID120635830
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)Nc2nccs2)CCN1
InChIInChI=1S/C15H22N4O2S/c1-10-9-11(4-5-16-10)14(21)19-7-2-3-12(19)13(20)18-15-17-6-8-22-15/h6,8,10-12,16H,2-5,7,9H2,1H3,(H,17,18,20)/t10-,11-,12?/m0/s1
InChIKeyCTSRJPNMNUFRLI-NDQFZYFBSA-N
XLogP1.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120623358
N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120622961
tert-butyl 3-[2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 55670608
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
1-(2,5-dimethylfuran-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576772
1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 86818508
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120798506
1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60524677
(2S)-1-[(1R,2R)-2-(2-bromophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124866615
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120564792

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 120635830) is 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is C[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)Nc2nccs2)CCN1.
What is the InChIKey of 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CTSRJPNMNUFRLI-NDQFZYFBSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-10-9-11(4-5-16-10)14(21)19-7-2-3-12(19)13(20)18-15-17-6-8-22-15/h6,8,10-12,16H,2-5,7,9H2,1H3,(H,17,18,20)/t10-,11-,12?/m0/s1.
What are the key properties of 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120635830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).