(3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

C17H23N5OS — CID 97271190

IUPAC(3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)N1CCC[C@H](C(=O)NCc2csc(-c3ncccn3)n2)C1
InChIInChI=1S/C17H23N5OS/c1-12(2)22-8-3-5-13(10-22)16(23)20-9-14-11-24-17(21-14)15-18-6-4-7-19-15/h4,6-7,11-13H,3,5,8-10H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyHDEQISZBOWZGSI-ZDUSSCGKSA-N
MW345.47 g/mol
LogP2.34
Rot. Bonds5

About (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

(3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 97271190) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID97271190
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)N1CCC[C@H](C(=O)NCc2csc(-c3ncccn3)n2)C1
InChIInChI=1S/C17H23N5OS/c1-12(2)22-8-3-5-13(10-22)16(23)20-9-14-11-24-17(21-14)15-18-6-4-7-19-15/h4,6-7,11-13H,3,5,8-10H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyHDEQISZBOWZGSI-ZDUSSCGKSA-N
XLogP2.34
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97272581
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 110728045
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72940468
(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 155497132
ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 51653163
N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72875798
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95132319
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72873347
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 26397010
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 45247722

Frequently Asked Questions

What is the IUPAC name of (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (CID 97271190) is (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is CC(C)N1CCC[C@H](C(=O)NCc2csc(-c3ncccn3)n2)C1.
What is the InChIKey of (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is HDEQISZBOWZGSI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12(2)22-8-3-5-13(10-22)16(23)20-9-14-11-24-17(21-14)15-18-6-4-7-19-15/h4,6-7,11-13H,3,5,8-10H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
(3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 97271190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).