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

C15H23N3OS — CID 120637532

IUPAC(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCc1csc(C(NC(=O)[C@H]2CCN[C@@H](C)C2)C2CC2)n1
InChIInChI=1S/C15H23N3OS/c1-9-7-12(5-6-16-9)14(19)18-13(11-3-4-11)15-17-10(2)8-20-15/h8-9,11-13,16H,3-7H2,1-2H3,(H,18,19)/t9-,12-,13?/m0/s1
InChIKeyFVGWDRXHIRISCP-PEJSQMDMSA-N
MW293.44 g/mol
LogP2.41
Rot. Bonds4

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

(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120637532) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120637532
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCc1csc(C(NC(=O)[C@H]2CCN[C@@H](C)C2)C2CC2)n1
InChIInChI=1S/C15H23N3OS/c1-9-7-12(5-6-16-9)14(19)18-13(11-3-4-11)15-17-10(2)8-20-15/h8-9,11-13,16H,3-7H2,1-2H3,(H,18,19)/t9-,12-,13?/m0/s1
InChIKeyFVGWDRXHIRISCP-PEJSQMDMSA-N
XLogP2.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,4S)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98351658
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119894159
(2S,4S)-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 120644604
(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride
CID 120635411
3-amino-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylbutanamide
CID 120504188
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786
5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 97073717
2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634432
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634916
1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 129378644

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide (CID 120637532) is (2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide is Cc1csc(C(NC(=O)[C@H]2CCN[C@@H](C)C2)C2CC2)n1.
What is the InChIKey of (2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is FVGWDRXHIRISCP-PEJSQMDMSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-9-7-12(5-6-16-9)14(19)18-13(11-3-4-11)15-17-10(2)8-20-15/h8-9,11-13,16H,3-7H2,1-2H3,(H,18,19)/t9-,12-,13?/m0/s1.
What are the key properties of (2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120637532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).