phenyl(thiadiazol-4-yl)methanol

C9H8N2OS — CID 91209499

IUPACphenyl(thiadiazol-4-yl)methanol
SMILESOC(c1ccccc1)c1csnn1
InChIInChI=1S/C9H8N2OS/c12-9(8-6-13-11-10-8)7-4-2-1-3-5-7/h1-6,9,12H
InChIKeyVPHZVMFZTMZUJA-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.62
Rot. Bonds2

About phenyl(thiadiazol-4-yl)methanol

phenyl(thiadiazol-4-yl)methanol (PubChem CID 91209499) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is phenyl(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Namephenyl(thiadiazol-4-yl)methanol
PubChem CID91209499
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Namephenyl(thiadiazol-4-yl)methanol
SMILESOC(c1ccccc1)c1csnn1
InChIInChI=1S/C9H8N2OS/c12-9(8-6-13-11-10-8)7-4-2-1-3-5-7/h1-6,9,12H
InChIKeyVPHZVMFZTMZUJA-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

[5-(4-Fluorophenyl)-1,2,3-thiadiazol-4-yl]methanol
CID 69206022
2-(5-Phenylthiadiazol-4-yl)propan-2-ol
CID 13494833
1-(5-Phenylthiadiazol-4-yl)cyclohexan-1-ol
CID 13494835
Phenyl-(5-phenylthiadiazol-4-yl)methanol
CID 13494837
1-(5-Phenylthiadiazol-4-yl)butan-1-ol
CID 13494838
Isothiazolylphenylmethanol
CID 129752610
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

Frequently Asked Questions

What is the IUPAC name of phenyl(thiadiazol-4-yl)methanol?
The IUPAC name of phenyl(thiadiazol-4-yl)methanol (CID 91209499) is phenyl(thiadiazol-4-yl)methanol.
What is the SMILES notation for phenyl(thiadiazol-4-yl)methanol?
The canonical SMILES for phenyl(thiadiazol-4-yl)methanol is OC(c1ccccc1)c1csnn1.
What is the InChIKey of phenyl(thiadiazol-4-yl)methanol?
The InChIKey is VPHZVMFZTMZUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-9(8-6-13-11-10-8)7-4-2-1-3-5-7/h1-6,9,12H.
What are the key properties of phenyl(thiadiazol-4-yl)methanol?
phenyl(thiadiazol-4-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-4-yl)methanol is sourced from PubChem (CID 91209499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).