6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C18H19N5OS — CID 126942580

IUPAC6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)ncn1CC1CCN(c2nccs2)CC1
InChIInChI=1S/C18H19N5OS/c24-17-11-16(15-1-5-19-6-2-15)21-13-23(17)12-14-3-8-22(9-4-14)18-20-7-10-25-18/h1-2,5-7,10-11,13-14H,3-4,8-9,12H2
InChIKeyDTZHNNLOWDQHQD-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.68
Rot. Bonds4

About 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one

6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126942580) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126942580
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)ncn1CC1CCN(c2nccs2)CC1
InChIInChI=1S/C18H19N5OS/c24-17-11-16(15-1-5-19-6-2-15)21-13-23(17)12-14-3-8-22(9-4-14)18-20-7-10-25-18/h1-2,5-7,10-11,13-14H,3-4,8-9,12H2
InChIKeyDTZHNNLOWDQHQD-UHFFFAOYSA-N
XLogP2.68
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-pyridin-4-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942838
6-cyclopropyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941646
3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942845
6-pyridin-4-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942634
6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942875
3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942699
3-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942501
3-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942655
3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942600
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942798
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942550
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942767

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126942580) is 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(-c2ccncc2)ncn1CC1CCN(c2nccs2)CC1.
What is the InChIKey of 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is DTZHNNLOWDQHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17-11-16(15-1-5-19-6-2-15)21-13-23(17)12-14-3-8-22(9-4-14)18-20-7-10-25-18/h1-2,5-7,10-11,13-14H,3-4,8-9,12H2.
What are the key properties of 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 353.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126942580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).