(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C15H20F3NOS — CID 106782529

IUPAC(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)(C)C1CCC(C(=O)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H20F3NOS/c1-14(2,3)10-6-4-9(5-7-10)12(20)11-8-19-13(21-11)15(16,17)18/h8-10H,4-7H2,1-3H3
InChIKeyOGTWXDLOEKCEIC-UHFFFAOYSA-N
MW319.39 g/mol
LogP5.20
Rot. Bonds2

About (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782529) has the molecular formula C15H20F3NOS and a molecular weight of 319.39 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782529
Molecular FormulaC15H20F3NOS
Molecular Weight319.39 g/mol
Exact Mass319.12
IUPAC Name(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)(C)C1CCC(C(=O)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H20F3NOS/c1-14(2,3)10-6-4-9(5-7-10)12(20)11-8-19-13(21-11)15(16,17)18/h8-10H,4-7H2,1-3H3
InChIKeyOGTWXDLOEKCEIC-UHFFFAOYSA-N
XLogP5.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782529) is (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CC(C)(C)C1CCC(C(=O)c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is OGTWXDLOEKCEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NOS/c1-14(2,3)10-6-4-9(5-7-10)12(20)11-8-19-13(21-11)15(16,17)18/h8-10H,4-7H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 319.39 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).