6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

C15H18N4O2S — CID 124947702

IUPAC6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCc1nc(C)c(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)s1
InChIInChI=1S/C15H18N4O2S/c1-9-13(22-10(2)17-9)14(20)19-7-3-4-11(8-19)12-5-6-16-15(21)18-12/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,18,21)/t11-/m0/s1
InChIKeyCHMGHMGNGYBVJT-NSHDSACASA-N
MW318.40 g/mol
LogP1.86
Rot. Bonds2

About 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 124947702) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID124947702
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCc1nc(C)c(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)s1
InChIInChI=1S/C15H18N4O2S/c1-9-13(22-10(2)17-9)14(20)19-7-3-4-11(8-19)12-5-6-16-15(21)18-12/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,18,21)/t11-/m0/s1
InChIKeyCHMGHMGNGYBVJT-NSHDSACASA-N
XLogP1.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one with MolForge

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Related Compounds

6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114830
6-[1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115079
6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115172
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155533168
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125022774
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
6-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124942458
6-[(3R)-1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125007295
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626
6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124963530
6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125005483

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (CID 124947702) is 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccnc(=O)[nH]3)C2)s1.
What is the InChIKey of 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is CHMGHMGNGYBVJT-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9-13(22-10(2)17-9)14(20)19-7-3-4-11(8-19)12-5-6-16-15(21)18-12/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,18,21)/t11-/m0/s1.
What are the key properties of 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 318.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124947702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).