phenyl(thiadiazol-5-yl)methanol

C9H8N2OS — CID 105076393

IUPACphenyl(thiadiazol-5-yl)methanol
SMILESOC(c1ccccc1)c1cnns1
InChIInChI=1S/C9H8N2OS/c12-9(8-6-10-11-13-8)7-4-2-1-3-5-7/h1-6,9,12H
InChIKeyNVXVVGODKGLXOZ-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.62
Rot. Bonds2

About phenyl(thiadiazol-5-yl)methanol

phenyl(thiadiazol-5-yl)methanol (PubChem CID 105076393) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is phenyl(thiadiazol-5-yl)methanol.

Molecular Properties

Compound Namephenyl(thiadiazol-5-yl)methanol
PubChem CID105076393
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Namephenyl(thiadiazol-5-yl)methanol
SMILESOC(c1ccccc1)c1cnns1
InChIInChI=1S/C9H8N2OS/c12-9(8-6-10-11-13-8)7-4-2-1-3-5-7/h1-6,9,12H
InChIKeyNVXVVGODKGLXOZ-UHFFFAOYSA-N
XLogP1.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 102623196
[2-Methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-5-yl)methanol
CID 102759059
2-(3-Chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 102867557
2-(3-Chloro-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 103043677
2-(5-Chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 103053462
2-(4-Fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105077044
(4-Fluorophenyl)-(thiadiazol-5-yl)methanol
CID 105077279
2-(2-Fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105077740
(3-Fluorophenyl)-(thiadiazol-5-yl)methanol
CID 105078376
2-(3-Fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105079052
2-(2,5-Difluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105081114
2-(2-Chloro-6-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105081264

Frequently Asked Questions

What is the IUPAC name of phenyl(thiadiazol-5-yl)methanol?
The IUPAC name of phenyl(thiadiazol-5-yl)methanol (CID 105076393) is phenyl(thiadiazol-5-yl)methanol.
What is the SMILES notation for phenyl(thiadiazol-5-yl)methanol?
The canonical SMILES for phenyl(thiadiazol-5-yl)methanol is OC(c1ccccc1)c1cnns1.
What is the InChIKey of phenyl(thiadiazol-5-yl)methanol?
The InChIKey is NVXVVGODKGLXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-9(8-6-10-11-13-8)7-4-2-1-3-5-7/h1-6,9,12H.
What are the key properties of phenyl(thiadiazol-5-yl)methanol?
phenyl(thiadiazol-5-yl)methanol has a molecular weight of 192.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(thiadiazol-5-yl)methanol is sourced from PubChem (CID 105076393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).