2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole

C13H18F3NS — CID 157060119

IUPAC2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole
SMILESCC(C)c1ncc(C2CCCCC2C(F)(F)F)s1
InChIInChI=1S/C13H18F3NS/c1-8(2)12-17-7-11(18-12)9-5-3-4-6-10(9)13(14,15)16/h7-10H,3-6H2,1-2H3
InChIKeyIRNDXLUFAZFVDE-UHFFFAOYSA-N
MW277.36 g/mol
LogP5.10
Rot. Bonds2

About 2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole

2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole (PubChem CID 157060119) has the molecular formula C13H18F3NS and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole
PubChem CID157060119
Molecular FormulaC13H18F3NS
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole
SMILESCC(C)c1ncc(C2CCCCC2C(F)(F)F)s1
InChIInChI=1S/C13H18F3NS/c1-8(2)12-17-7-11(18-12)9-5-3-4-6-10(9)13(14,15)16/h7-10H,3-6H2,1-2H3
InChIKeyIRNDXLUFAZFVDE-UHFFFAOYSA-N
XLogP5.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.36
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole (CID 157060119) is 2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole is CC(C)c1ncc(C2CCCCC2C(F)(F)F)s1.
What is the InChIKey of 2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
The InChIKey is IRNDXLUFAZFVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-8(2)12-17-7-11(18-12)9-5-3-4-6-10(9)13(14,15)16/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole has a molecular weight of 277.36 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole is sourced from PubChem (CID 157060119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).