(2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

C11H11BrF3NOS — CID 166045451

IUPAC(2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1csc(Br)n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H11BrF3NOS/c12-10-16-8(5-18-10)9(17)6-1-3-7(4-2-6)11(13,14)15/h5-7H,1-4H2
InChIKeyWUPGOOACINCINZ-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.46
Rot. Bonds2

About (2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

(2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 166045451) has the molecular formula C11H11BrF3NOS and a molecular weight of 342.18 g/mol. Its IUPAC name is (2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID166045451
Molecular FormulaC11H11BrF3NOS
Molecular Weight342.18 g/mol
Exact Mass340.97
IUPAC Name(2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1csc(Br)n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H11BrF3NOS/c12-10-16-8(5-18-10)9(17)6-1-3-7(4-2-6)11(13,14)15/h5-7H,1-4H2
InChIKeyWUPGOOACINCINZ-UHFFFAOYSA-N
XLogP4.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (CID 166045451) is (2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is O=C(c1csc(Br)n1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is WUPGOOACINCINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NOS/c12-10-16-8(5-18-10)9(17)6-1-3-7(4-2-6)11(13,14)15/h5-7H,1-4H2.
What are the key properties of (2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
(2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 342.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 166045451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).