(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C11H6BrClF3NOS — CID 106782172

IUPAC(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H6BrClF3NOS/c12-7-2-1-5(13)3-6(7)9(18)8-4-17-10(19-8)11(14,15)16/h1-4,9,18H
InChIKeyNCAIJXKIUTYDDF-UHFFFAOYSA-N
MW372.59 g/mol
LogP4.66
Rot. Bonds2

About (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782172) has the molecular formula C11H6BrClF3NOS and a molecular weight of 372.59 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782172
Molecular FormulaC11H6BrClF3NOS
Molecular Weight372.59 g/mol
Exact Mass370.90
IUPAC Name(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H6BrClF3NOS/c12-7-2-1-5(13)3-6(7)9(18)8-4-17-10(19-8)11(14,15)16/h1-4,9,18H
InChIKeyNCAIJXKIUTYDDF-UHFFFAOYSA-N
XLogP4.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786605
(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782299
(2-bromo-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782227
(3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782057
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782715
(2-bromo-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 107985902
(2-chloro-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786653
2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106786505
1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785993
(4-bromo-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783780
isoquinolin-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782263
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131294993

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782172) is (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1cnc(C(F)(F)F)s1)c1cc(Cl)ccc1Br.
What is the InChIKey of (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is NCAIJXKIUTYDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3NOS/c12-7-2-1-5(13)3-6(7)9(18)8-4-17-10(19-8)11(14,15)16/h1-4,9,18H.
What are the key properties of (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 372.59 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).