(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol

C12H10F4N2OS — CID 107292136

IUPAC(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
SMILESCCc1nnsc1C(O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H10F4N2OS/c1-2-9-11(20-18-17-9)10(19)6-3-4-8(13)7(5-6)12(14,15)16/h3-5,10,19H,2H2,1H3
InChIKeyAOVCOELARSNEIP-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.34
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol

(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol (PubChem CID 107292136) has the molecular formula C12H10F4N2OS and a molecular weight of 306.28 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
PubChem CID107292136
Molecular FormulaC12H10F4N2OS
Molecular Weight306.28 g/mol
Exact Mass306.04
IUPAC Name(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
SMILESCCc1nnsc1C(O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H10F4N2OS/c1-2-9-11(20-18-17-9)10(19)6-3-4-8(13)7(5-6)12(14,15)16/h3-5,10,19H,2H2,1H3
InChIKeyAOVCOELARSNEIP-UHFFFAOYSA-N
XLogP3.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-(4-propylthiadiazol-5-yl)methanol
CID 105096391
(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 105131171
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171159874
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171267517
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol
CID 171159873
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171161305
(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145381
2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105132974
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104514714
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol
CID 107287144
(2-fluoro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288706
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol
CID 171161304

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol (CID 107292136) is (4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol is CCc1nnsc1C(O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is AOVCOELARSNEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2OS/c1-2-9-11(20-18-17-9)10(19)6-3-4-8(13)7(5-6)12(14,15)16/h3-5,10,19H,2H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol?
(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 306.28 g/mol, XLogP of 3.34, 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)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107292136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).