2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole

C25H30N4OS2 — CID 45166133

IUPAC2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole
SMILESCc1cnc(SCC2CCCO2)nc1C1CCCN(Cc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C25H30N4OS2/c1-18-13-26-25(32-16-21-10-6-12-30-21)28-24(18)20-9-5-11-29(14-20)15-23-27-22(17-31-23)19-7-3-2-4-8-19/h2-4,7-8,13,17,20-21H,5-6,9-12,14-16H2,1H3
InChIKeyGRGGIYDUJRKSKM-UHFFFAOYSA-N
MW466.68 g/mol
LogP5.56
Rot. Bonds7

About 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole

2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole (PubChem CID 45166133) has the molecular formula C25H30N4OS2 and a molecular weight of 466.68 g/mol. Its IUPAC name is 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole
PubChem CID45166133
Molecular FormulaC25H30N4OS2
Molecular Weight466.68 g/mol
Exact Mass466.19
IUPAC Name2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole
SMILESCc1cnc(SCC2CCCO2)nc1C1CCCN(Cc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C25H30N4OS2/c1-18-13-26-25(32-16-21-10-6-12-30-21)28-24(18)20-9-5-11-29(14-20)15-23-27-22(17-31-23)19-7-3-2-4-8-19/h2-4,7-8,13,17,20-21H,5-6,9-12,14-16H2,1H3
InChIKeyGRGGIYDUJRKSKM-UHFFFAOYSA-N
XLogP5.56
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.68
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole with MolForge

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Related Compounds

1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]urea
CID 58938081
1-{[2-(methylthio)-5-pyrimidinyl]methyl}-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24792102
N-(3-ethoxypropyl)-4-(4-methyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522218
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,N-bis(2-methoxyethyl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522307
4-[4-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine
CID 44522308
N-(oxolan-2-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522318
2-(2-Piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 44522323
1-[4-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidin-4-ol
CID 44525328
4-[[4-[4-(3,4-Difluorophenyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 91800686
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
CID 143376446
4-[4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 145979057
4-[2-(1-Methylpiperidin-4-yl)-4-(3-methylsulfonylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 145979653

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole (CID 45166133) is 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole is Cc1cnc(SCC2CCCO2)nc1C1CCCN(Cc2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole?
The InChIKey is GRGGIYDUJRKSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OS2/c1-18-13-26-25(32-16-21-10-6-12-30-21)28-24(18)20-9-5-11-29(14-20)15-23-27-22(17-31-23)19-7-3-2-4-8-19/h2-4,7-8,13,17,20-21H,5-6,9-12,14-16H2,1H3.
What are the key properties of 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole?
2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole has a molecular weight of 466.68 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 45166133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).