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

C13H12F3NO2S — CID 106782078

IUPAC(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(C(O)c2cnc(C(F)(F)F)s2)cc1C
InChIInChI=1S/C13H12F3NO2S/c1-7-5-8(3-4-9(7)19-2)11(18)10-6-17-12(20-10)13(14,15)16/h3-6,11,18H,1-2H3
InChIKeyVDNVSCIWYUTUKY-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.56
Rot. Bonds3

About (4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782078) has the molecular formula C13H12F3NO2S and a molecular weight of 303.31 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782078
Molecular FormulaC13H12F3NO2S
Molecular Weight303.31 g/mol
Exact Mass303.05
IUPAC Name(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(C(O)c2cnc(C(F)(F)F)s2)cc1C
InChIInChI=1S/C13H12F3NO2S/c1-7-5-8(3-4-9(7)19-2)11(18)10-6-17-12(20-10)13(14,15)16/h3-6,11,18H,1-2H3
InChIKeyVDNVSCIWYUTUKY-UHFFFAOYSA-N
XLogP3.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782148
(3-methoxy-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785356
(3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782057
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786008
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786605
(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol
CID 63969426
(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684884
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-3-methylphenyl)methanol
CID 81261763
(2-bromo-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782227

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782078) is (4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is COc1ccc(C(O)c2cnc(C(F)(F)F)s2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is VDNVSCIWYUTUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2S/c1-7-5-8(3-4-9(7)19-2)11(18)10-6-17-12(20-10)13(14,15)16/h3-6,11,18H,1-2H3.
What are the key properties of (4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 303.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).