2-(1,3,4-thiadiazol-2-yl)phenol

C8H6N2OS — CID 135744207

IUPAC2-(1,3,4-thiadiazol-2-yl)phenol
SMILESOc1ccccc1-c1nncs1
InChIInChI=1S/C8H6N2OS/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,11H
InChIKeyDZYFKLJGNCDPMP-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.91
Rot. Bonds1

About 2-(1,3,4-thiadiazol-2-yl)phenol

2-(1,3,4-thiadiazol-2-yl)phenol (PubChem CID 135744207) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-yl)phenol
PubChem CID135744207
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name2-(1,3,4-thiadiazol-2-yl)phenol
SMILESOc1ccccc1-c1nncs1
InChIInChI=1S/C8H6N2OS/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,11H
InChIKeyDZYFKLJGNCDPMP-UHFFFAOYSA-N
XLogP1.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3,4-thiadiazol-2-yl)aniline
CID 21271879
2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole
CID 137347251
2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole
CID 130052550
2-(4-phenylphenyl)-1,3,4-thiadiazole
CID 54288467
ethane;2-phenyl-1,3,4-thiadiazole
CID 142010140
2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline
CID 166843941
2-(3-fluoro-2-methoxyphenyl)-1,3,4-thiadiazole
CID 130052506
2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole
CID 130052576
2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136930256
2-pyridin-3-yl-1,3,4-thiadiazole
CID 19871284
2-(4-tert-butyl-3-pyridinyl)-1,3,4-thiadiazole
CID 165372247
2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole
CID 18938487

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-yl)phenol?
The IUPAC name of 2-(1,3,4-thiadiazol-2-yl)phenol (CID 135744207) is 2-(1,3,4-thiadiazol-2-yl)phenol.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-yl)phenol?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-yl)phenol is Oc1ccccc1-c1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-yl)phenol?
The InChIKey is DZYFKLJGNCDPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,11H.
What are the key properties of 2-(1,3,4-thiadiazol-2-yl)phenol?
2-(1,3,4-thiadiazol-2-yl)phenol has a molecular weight of 178.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-yl)phenol is sourced from PubChem (CID 135744207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).