(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

C12H11F3N2OS — CID 102759354

IUPAC(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1snnc1C
InChIInChI=1S/C12H11F3N2OS/c1-6-5-8(12(13,14)15)3-4-9(6)10(18)11-7(2)16-17-19-11/h3-5,10,18H,1-2H3
InChIKeyUQJWDVQDAVCINN-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.26
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 102759354) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID102759354
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1snnc1C
InChIInChI=1S/C12H11F3N2OS/c1-6-5-8(12(13,14)15)3-4-9(6)10(18)11-7(2)16-17-19-11/h3-5,10,18H,1-2H3
InChIKeyUQJWDVQDAVCINN-UHFFFAOYSA-N
XLogP3.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-Dimethylphenyl)-3-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
CID 90418352
5-[2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-6-(methoxymethyl)-4-methylphenyl]-4-methylthiadiazole
CID 173625770
1-(4-Fluorophenyl)-2-methyl-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 174925088
Phenyl-(5-phenylthiadiazol-4-yl)methanol
CID 13494837
1-(5-Phenylthiadiazol-4-yl)butan-1-ol
CID 13494838
[2-Methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-5-yl)methanol
CID 102759059
[2-Methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol
CID 102759063
(4-Ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759066
[2-Methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 102759173
[2-Methyl-4-(trifluoromethyl)phenyl]-(4-propylthiadiazol-5-yl)methanol
CID 102759311
2-(4-Fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105076984
1-(4-Ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 105077031

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 102759354) is (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is Cc1cc(C(F)(F)F)ccc1C(O)c1snnc1C.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is UQJWDVQDAVCINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-6-5-8(12(13,14)15)3-4-9(6)10(18)11-7(2)16-17-19-11/h3-5,10,18H,1-2H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
(4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 288.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 102759354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).