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

C14H15F3N2OS — CID 102759173

IUPAC[2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1snnc1C(C)C
InChIInChI=1S/C14H15F3N2OS/c1-7(2)11-13(21-19-18-11)12(20)10-5-4-9(6-8(10)3)14(15,16)17/h4-7,12,20H,1-3H3
InChIKeyRIFLTKRGNALJAX-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.07
Rot. Bonds3

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

[2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol (PubChem CID 102759173) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol
PubChem CID102759173
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name[2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1snnc1C(C)C
InChIInChI=1S/C14H15F3N2OS/c1-7(2)11-13(21-19-18-11)12(20)10-5-4-9(6-8(10)3)14(15,16)17/h4-7,12,20H,1-3H3
InChIKeyRIFLTKRGNALJAX-UHFFFAOYSA-N
XLogP4.07
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-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
1-(4-Tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 105077051
2-(4-Fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105077053

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol?
The IUPAC name of [2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol (CID 102759173) is [2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol is Cc1cc(C(F)(F)F)ccc1C(O)c1snnc1C(C)C.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol?
The InChIKey is RIFLTKRGNALJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-7(2)11-13(21-19-18-11)12(20)10-5-4-9(6-8(10)3)14(15,16)17/h4-7,12,20H,1-3H3.
What are the key properties of [2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol?
[2-methyl-4-(trifluoromethyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanol has a molecular weight of 316.35 g/mol, XLogP of 4.07, 3 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]-(4-propan-2-ylthiadiazol-5-yl)methanol is sourced from PubChem (CID 102759173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).