(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide

C17H23N5OS — CID 96557748

IUPAC(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@@H](C(=O)NCCc3nccs3)C2)n1
InChIInChI=1S/C17H23N5OS/c1-12-10-13(2)21-17(20-12)22-8-3-4-14(11-22)16(23)19-6-5-15-18-7-9-24-15/h7,9-10,14H,3-6,8,11H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyOUDBQSVGMDVVSB-CQSZACIVSA-N
MW345.47 g/mol
LogP2.13
Rot. Bonds5

About (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide

(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 96557748) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID96557748
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@@H](C(=O)NCCc3nccs3)C2)n1
InChIInChI=1S/C17H23N5OS/c1-12-10-13(2)21-17(20-12)22-8-3-4-14(11-22)16(23)19-6-5-15-18-7-9-24-15/h7,9-10,14H,3-6,8,11H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyOUDBQSVGMDVVSB-CQSZACIVSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 96557631
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 96558079
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
CID 6487050
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 96557410
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95476503
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569
(3S)-1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97186745

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide (CID 96557748) is (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide is Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCCc3nccs3)C2)n1.
What is the InChIKey of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is OUDBQSVGMDVVSB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-10-13(2)21-17(20-12)22-8-3-4-14(11-22)16(23)19-6-5-15-18-7-9-24-15/h7,9-10,14H,3-6,8,11H2,1-2H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 96557748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).