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

C11H9F3N2OS — CID 102759063

IUPAC[2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1csnn1
InChIInChI=1S/C11H9F3N2OS/c1-6-4-7(11(12,13)14)2-3-8(6)10(17)9-5-18-16-15-9/h2-5,10,17H,1H3
InChIKeyPBITWGCXTJNHIX-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.95
Rot. Bonds2

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

[2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol (PubChem CID 102759063) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol
PubChem CID102759063
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name[2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1csnn1
InChIInChI=1S/C11H9F3N2OS/c1-6-4-7(11(12,13)14)2-3-8(6)10(17)9-5-18-16-15-9/h2-5,10,17H,1H3
InChIKeyPBITWGCXTJNHIX-UHFFFAOYSA-N
XLogP2.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(4-Methylthiadiazol-5-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759354
2-(4-Fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 105077026
(4-Fluorophenyl)-(thiadiazol-4-yl)methanol
CID 105077261
2-(2-Fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 105077723
(3-Fluorophenyl)-(thiadiazol-4-yl)methanol
CID 105078357
2-(3-Fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 105079033
2-(2,5-Difluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 105081090
2-(2,4-Difluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 105083463
(2-Fluorophenyl)-(thiadiazol-4-yl)methanol
CID 105083895

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol?
The IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol (CID 102759063) is [2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol is Cc1cc(C(F)(F)F)ccc1C(O)c1csnn1.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol?
The InChIKey is PBITWGCXTJNHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c1-6-4-7(11(12,13)14)2-3-8(6)10(17)9-5-18-16-15-9/h2-5,10,17H,1H3.
What are the key properties of [2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol?
[2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol has a molecular weight of 274.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol is sourced from PubChem (CID 102759063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).