2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole

C15H16ClF2N3S — CID 139300260

IUPAC2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(Cl)cc(CC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C15H16ClF2N3S/c1-9-8-22-14(19-9)13-20-11(7-12(16)21-13)6-10-2-4-15(17,18)5-3-10/h7-8,10H,2-6H2,1H3
InChIKeyMKDHQGRFTUJVJH-UHFFFAOYSA-N
MW343.83 g/mol
LogP4.93
Rot. Bonds3

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

2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole (PubChem CID 139300260) has the molecular formula C15H16ClF2N3S and a molecular weight of 343.83 g/mol. Its IUPAC name is 2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole
PubChem CID139300260
Molecular FormulaC15H16ClF2N3S
Molecular Weight343.83 g/mol
Exact Mass343.07
IUPAC Name2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(Cl)cc(CC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C15H16ClF2N3S/c1-9-8-22-14(19-9)13-20-11(7-12(16)21-13)6-10-2-4-15(17,18)5-3-10/h7-8,10H,2-6H2,1H3
InChIKeyMKDHQGRFTUJVJH-UHFFFAOYSA-N
XLogP4.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(4-Chloro-6-methylpyrimidin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 90877695
6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139300127
N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 139300325
2-[4-[(4,4-Difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 157799196
2-[4-[(4,4-Difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole
CID 158823533
2-[4-[(4,4-Difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-methyl-1,3-thiazole
CID 158892163
2-[4-[(4,4-Difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-(fluoromethyl)-1,3-thiazole
CID 160571242
4-Cyclopropyl-2-[4-[(4,4-difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-1,3-thiazole
CID 161366570
2-[4-[(4,4-Difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-ethyl-1,3-thiazole
CID 161675241
2-[4-[(4,4-Difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-(difluoromethyl)-1,3-thiazole
CID 161933128
4-Tert-butyl-2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]methyl]-1,3-thiazole
CID 106768959
2-(4-Chloro-6-propan-2-ylpyrimidin-2-yl)-4-methyl-1,3-thiazole
CID 104770940

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole (CID 139300260) is 2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2nc(Cl)cc(CC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is MKDHQGRFTUJVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3S/c1-9-8-22-14(19-9)13-20-11(7-12(16)21-13)6-10-2-4-15(17,18)5-3-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole?
2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 343.83 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-[(4,4-difluorocyclohexyl)methyl]pyrimidin-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 139300260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).