(3-fluorophenyl)-(thiadiazol-4-yl)methanol

C9H7FN2OS — CID 105078357

IUPAC(3-fluorophenyl)-(thiadiazol-4-yl)methanol
SMILESOC(c1cccc(F)c1)c1csnn1
InChIInChI=1S/C9H7FN2OS/c10-7-3-1-2-6(4-7)9(13)8-5-14-12-11-8/h1-5,9,13H
InChIKeyYRUYLNFGBPMZNY-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.76
Rot. Bonds2

About (3-fluorophenyl)-(thiadiazol-4-yl)methanol

(3-fluorophenyl)-(thiadiazol-4-yl)methanol (PubChem CID 105078357) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is (3-fluorophenyl)-(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(thiadiazol-4-yl)methanol
PubChem CID105078357
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name(3-fluorophenyl)-(thiadiazol-4-yl)methanol
SMILESOC(c1cccc(F)c1)c1csnn1
InChIInChI=1S/C9H7FN2OS/c10-7-3-1-2-6(4-7)9(13)8-5-14-12-11-8/h1-5,9,13H
InChIKeyYRUYLNFGBPMZNY-UHFFFAOYSA-N
XLogP1.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-Fluorophenyl)-1,2,3-thiadiazol-4-yl]methanol
CID 69206022
Phenyl-(5-phenylthiadiazol-4-yl)methanol
CID 13494837
1-(5-Phenylthiadiazol-4-yl)butan-1-ol
CID 13494838
2-(2-Chloro-5-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 102623171
[2-Methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methanol
CID 102759063
2-(3-Chloro-2-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 102867464
2-(3-Chloro-4-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 103043682
2-(5-Chloro-2-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 103053464
2-(4-Fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105076984
2-(4-Fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 105077026
1-(4-Ethylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 105077031
1-(4-Tert-butylthiadiazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 105077051

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(thiadiazol-4-yl)methanol?
The IUPAC name of (3-fluorophenyl)-(thiadiazol-4-yl)methanol (CID 105078357) is (3-fluorophenyl)-(thiadiazol-4-yl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(thiadiazol-4-yl)methanol?
The canonical SMILES for (3-fluorophenyl)-(thiadiazol-4-yl)methanol is OC(c1cccc(F)c1)c1csnn1.
What is the InChIKey of (3-fluorophenyl)-(thiadiazol-4-yl)methanol?
The InChIKey is YRUYLNFGBPMZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-7-3-1-2-6(4-7)9(13)8-5-14-12-11-8/h1-5,9,13H.
What are the key properties of (3-fluorophenyl)-(thiadiazol-4-yl)methanol?
(3-fluorophenyl)-(thiadiazol-4-yl)methanol has a molecular weight of 210.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(thiadiazol-4-yl)methanol is sourced from PubChem (CID 105078357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).