3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one

C20H21N5O2S — CID 126942957

IUPAC3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESCc1ncsc1C(=O)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1
InChIInChI=1S/C20H21N5O2S/c1-14-19(28-13-23-14)20(27)24-7-4-15(5-8-24)11-25-12-22-17(9-18(25)26)16-3-2-6-21-10-16/h2-3,6,9-10,12-13,15H,4-5,7-8,11H2,1H3
InChIKeyIAGFRJRGXSKHKN-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.62
Rot. Bonds4

About 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one

3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one (PubChem CID 126942957) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
PubChem CID126942957
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESCc1ncsc1C(=O)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1
InChIInChI=1S/C20H21N5O2S/c1-14-19(28-13-23-14)20(27)24-7-4-15(5-8-24)11-25-12-22-17(9-18(25)26)16-3-2-6-21-10-16/h2-3,6,9-10,12-13,15H,4-5,7-8,11H2,1H3
InChIKeyIAGFRJRGXSKHKN-UHFFFAOYSA-N
XLogP2.62
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one with MolForge

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Related Compounds

6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944272
3-[[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942974
6-pyridin-3-yl-3-[[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942922
3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942955
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943238
3-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943090
6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942967
6-pyridin-3-yl-3-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943101
3-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942501
6-methyl-2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863870
3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942963
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one (CID 126942957) is 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one is Cc1ncsc1C(=O)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1.
What is the InChIKey of 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The InChIKey is IAGFRJRGXSKHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-14-19(28-13-23-14)20(27)24-7-4-15(5-8-24)11-25-12-22-17(9-18(25)26)16-3-2-6-21-10-16/h2-3,6,9-10,12-13,15H,4-5,7-8,11H2,1H3.
What are the key properties of 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one has a molecular weight of 395.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one is sourced from PubChem (CID 126942957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).