(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C12H9ClF3NOS — CID 106786605

IUPAC(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(Cl)cc1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H9ClF3NOS/c1-6-2-3-7(13)4-8(6)10(18)9-5-17-11(19-9)12(14,15)16/h2-5,10,18H,1H3
InChIKeyWIDMTCZRCCJWCZ-UHFFFAOYSA-N
MW307.72 g/mol
LogP4.21
Rot. Bonds2

About (5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106786605) has the molecular formula C12H9ClF3NOS and a molecular weight of 307.72 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106786605
Molecular FormulaC12H9ClF3NOS
Molecular Weight307.72 g/mol
Exact Mass307.00
IUPAC Name(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(Cl)cc1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H9ClF3NOS/c1-6-2-3-7(13)4-8(6)10(18)9-5-17-11(19-9)12(14,15)16/h2-5,10,18H,1H3
InChIKeyWIDMTCZRCCJWCZ-UHFFFAOYSA-N
XLogP4.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782172
(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782299
(2-chloro-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786653
(2-bromo-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782227
(2-bromo-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 107985902
(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-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106786505
(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782078
(4-methyl-3-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783767
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782148

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106786605) is (5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is Cc1ccc(Cl)cc1C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is WIDMTCZRCCJWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NOS/c1-6-2-3-7(13)4-8(6)10(18)9-5-17-11(19-9)12(14,15)16/h2-5,10,18H,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 307.72 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106786605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).