5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole

C13H18F3NS — CID 157060118

IUPAC5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)c1nc(C(F)(F)F)c(C2CCCCC2)s1
InChIInChI=1S/C13H18F3NS/c1-8(2)12-17-11(13(14,15)16)10(18-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyVNYOJJSIGIEEKT-UHFFFAOYSA-N
MW277.35 g/mol
LogP5.33
Rot. Bonds2

About 5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole

5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 157060118) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID157060118
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)c1nc(C(F)(F)F)c(C2CCCCC2)s1
InChIInChI=1S/C13H18F3NS/c1-8(2)12-17-11(13(14,15)16)10(18-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyVNYOJJSIGIEEKT-UHFFFAOYSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.35
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole (CID 157060118) is 5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole is CC(C)c1nc(C(F)(F)F)c(C2CCCCC2)s1.
What is the InChIKey of 5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VNYOJJSIGIEEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-8(2)12-17-11(13(14,15)16)10(18-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 277.35 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 157060118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).