(4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C14H18F3NOS — CID 106782528

IUPAC(4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)C1CCC(C(=O)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H18F3NOS/c1-8(2)9-3-5-10(6-4-9)12(19)11-7-18-13(20-11)14(15,16)17/h7-10H,3-6H2,1-2H3
InChIKeyIXDRFEGNBSDIAP-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.81
Rot. Bonds3

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

(4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782528) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782528
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name(4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)C1CCC(C(=O)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H18F3NOS/c1-8(2)9-3-5-10(6-4-9)12(19)11-7-18-13(20-11)14(15,16)17/h7-10H,3-6H2,1-2H3
InChIKeyIXDRFEGNBSDIAP-UHFFFAOYSA-N
XLogP4.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782528) is (4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CC(C)C1CCC(C(=O)c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is IXDRFEGNBSDIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-8(2)9-3-5-10(6-4-9)12(19)11-7-18-13(20-11)14(15,16)17/h7-10H,3-6H2,1-2H3.
What are the key properties of (4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 305.37 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).