(2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C13H16F3NOS — CID 107187691

IUPAC(2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC1(C)CCCCC1C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H16F3NOS/c1-12(2)6-4-3-5-8(12)10(18)9-7-17-11(19-9)13(14,15)16/h7-8H,3-6H2,1-2H3
InChIKeyJWQPZZAXILCYOA-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.56
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 107187691) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID107187691
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name(2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC1(C)CCCCC1C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H16F3NOS/c1-12(2)6-4-3-5-8(12)10(18)9-7-17-11(19-9)13(14,15)16/h7-8H,3-6H2,1-2H3
InChIKeyJWQPZZAXILCYOA-UHFFFAOYSA-N
XLogP4.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 107187691) is (2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CC1(C)CCCCC1C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is JWQPZZAXILCYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c1-12(2)6-4-3-5-8(12)10(18)9-7-17-11(19-9)13(14,15)16/h7-8H,3-6H2,1-2H3.
What are the key properties of (2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 291.34 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 107187691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).