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

C14H16N4O2S — CID 136804115

IUPAC4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCN(C(=O)c3cncs3)CC2)n1
InChIInChI=1S/C14H16N4O2S/c1-9-6-12(19)17-13(16-9)10-2-4-18(5-3-10)14(20)11-7-15-8-21-11/h6-8,10H,2-5H2,1H3,(H,16,17,19)
InChIKeyVRLVQFGNRGHGKG-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.55
Rot. Bonds2

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

4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136804115) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID136804115
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CCN(C(=O)c3cncs3)CC2)n1
InChIInChI=1S/C14H16N4O2S/c1-9-6-12(19)17-13(16-9)10-2-4-18(5-3-10)14(20)11-7-15-8-21-11/h6-8,10H,2-5H2,1H3,(H,16,17,19)
InChIKeyVRLVQFGNRGHGKG-UHFFFAOYSA-N
XLogP1.55
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 95828534
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124944117
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124971089
2-[(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860390
(4-pyridin-2-ylpiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95828576
4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136804079
4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168597
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125021403
6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 166070841
2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136850277
methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate
CID 166070952

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one (CID 136804115) is 4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CCN(C(=O)c3cncs3)CC2)n1.
What is the InChIKey of 4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is VRLVQFGNRGHGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-6-12(19)17-13(16-9)10-2-4-18(5-3-10)14(20)11-7-15-8-21-11/h6-8,10H,2-5H2,1H3,(H,16,17,19).
What are the key properties of 4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 304.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136804115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).