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

C15H19N5OS — CID 96557903

IUPAC(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3nccs3)C2)n1
InChIInChI=1S/C15H19N5OS/c1-10-8-11(2)18-14(17-10)20-6-3-4-12(9-20)13(21)19-15-16-5-7-22-15/h5,7-8,12H,3-4,6,9H2,1-2H3,(H,16,19,21)/t12-/m1/s1
InChIKeyVAQSUPWVWTXABW-GFCCVEGCSA-N
MW317.42 g/mol
LogP2.41
Rot. Bonds3

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

(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 96557903) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID96557903
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3nccs3)C2)n1
InChIInChI=1S/C15H19N5OS/c1-10-8-11(2)18-14(17-10)20-6-3-4-12(9-20)13(21)19-15-16-5-7-22-15/h5,7-8,12H,3-4,6,9H2,1-2H3,(H,16,19,21)/t12-/m1/s1
InChIKeyVAQSUPWVWTXABW-GFCCVEGCSA-N
XLogP2.41
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 96557748
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 7436330
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 124976321
1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71701314
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3224330
(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95985916
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224246
N-(2,5-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224260
1-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 3224220
1-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90610044

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 96557903) is (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3nccs3)C2)n1.
What is the InChIKey of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is VAQSUPWVWTXABW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-8-11(2)18-14(17-10)20-6-3-4-12(9-20)13(21)19-15-16-5-7-22-15/h5,7-8,12H,3-4,6,9H2,1-2H3,(H,16,19,21)/t12-/m1/s1.
What are the key properties of (3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.41, 3 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-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 96557903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).