4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole

C15H19F5N2S — CID 170621554

IUPAC4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole
SMILESFC1(F)CCC(c2csc(C3(C(F)(F)F)CCNCC3)n2)CC1
InChIInChI=1S/C15H19F5N2S/c16-14(17)3-1-10(2-4-14)11-9-23-12(22-11)13(15(18,19)20)5-7-21-8-6-13/h9-10,21H,1-8H2
InChIKeyNHFSJCJZZKIXEY-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.62
Rot. Bonds2

About 4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole

4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 170621554) has the molecular formula C15H19F5N2S and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID170621554
Molecular FormulaC15H19F5N2S
Molecular Weight354.39 g/mol
Exact Mass354.12
IUPAC Name4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole
SMILESFC1(F)CCC(c2csc(C3(C(F)(F)F)CCNCC3)n2)CC1
InChIInChI=1S/C15H19F5N2S/c16-14(17)3-1-10(2-4-14)11-9-23-12(22-11)13(15(18,19)20)5-7-21-8-6-13/h9-10,21H,1-8H2
InChIKeyNHFSJCJZZKIXEY-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole (CID 170621554) is 4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole is FC1(F)CCC(c2csc(C3(C(F)(F)F)CCNCC3)n2)CC1.
What is the InChIKey of 4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is NHFSJCJZZKIXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F5N2S/c16-14(17)3-1-10(2-4-14)11-9-23-12(22-11)13(15(18,19)20)5-7-21-8-6-13/h9-10,21H,1-8H2.
What are the key properties of 4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole?
4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 354.39 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorocyclohexyl)-2-[4-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 170621554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).