2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole

C18H23F2N3S — CID 158823533

IUPAC2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCc1cc(CC2CCC(F)(F)CC2)nc(-c2nc(C(C)C)cs2)n1
InChIInChI=1S/C18H23F2N3S/c1-11(2)15-10-24-17(23-15)16-21-12(3)8-14(22-16)9-13-4-6-18(19,20)7-5-13/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyIWDYTUMCTMIXNN-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.40
Rot. Bonds4

About 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole

2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole (PubChem CID 158823533) has the molecular formula C18H23F2N3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole
PubChem CID158823533
Molecular FormulaC18H23F2N3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCc1cc(CC2CCC(F)(F)CC2)nc(-c2nc(C(C)C)cs2)n1
InChIInChI=1S/C18H23F2N3S/c1-11(2)15-10-24-17(23-15)16-21-12(3)8-14(22-16)9-13-4-6-18(19,20)7-5-13/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyIWDYTUMCTMIXNN-UHFFFAOYSA-N
XLogP5.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
CID 132206820
4-[6-[(4,4-Difluorocyclohexyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]morpholine
CID 132207328
N-(4,4-difluorocyclohexyl)-6-(1-fluoroethyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132207390
N-(4,4-difluorocyclohexyl)-6-(1,1-difluoroethyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132207441
6-tert-butyl-N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 132207458
6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139300127
2-[4-Chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole
CID 139300260
N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 139300325
N-(2,2-difluorocyclohexyl)-6-(1-fluoroethyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139300557
2-[6-[(4,4-Difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]propanenitrile
CID 139319867
6-[1-[[(1Z)-buta-1,3-dienyl]-methylamino]ethyl]-N-(4-fluoro-4-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139319968
N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 142404557

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole (CID 158823533) is 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole is Cc1cc(CC2CCC(F)(F)CC2)nc(-c2nc(C(C)C)cs2)n1.
What is the InChIKey of 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is IWDYTUMCTMIXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3S/c1-11(2)15-10-24-17(23-15)16-21-12(3)8-14(22-16)9-13-4-6-18(19,20)7-5-13/h8,10-11,13H,4-7,9H2,1-3H3.
What are the key properties of 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole?
2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 351.47 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158823533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).