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

C13H13F3N2OS — CID 102759066

IUPAC(4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCCc1nnsc1C(O)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C13H13F3N2OS/c1-3-10-12(20-18-17-10)11(19)9-5-4-8(6-7(9)2)13(14,15)16/h4-6,11,19H,3H2,1-2H3
InChIKeyBYPVOEFNDAHPSZ-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.51
Rot. Bonds3

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

(4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 102759066) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID102759066
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name(4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCCc1nnsc1C(O)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C13H13F3N2OS/c1-3-10-12(20-18-17-10)11(19)9-5-4-8(6-7(9)2)13(14,15)16/h4-6,11,19H,3H2,1-2H3
InChIKeyBYPVOEFNDAHPSZ-UHFFFAOYSA-N
XLogP3.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.51
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
[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
(4-Methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759354
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-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 102759066) is (4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is CCc1nnsc1C(O)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is BYPVOEFNDAHPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-3-10-12(20-18-17-10)11(19)9-5-4-8(6-7(9)2)13(14,15)16/h4-6,11,19H,3H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
(4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 302.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 102759066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).