4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol

C8H6FN3OS — CID 136751543

IUPAC4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol
SMILESNc1nnc(-c2ccc(O)cc2F)s1
InChIInChI=1S/C8H6FN3OS/c9-6-3-4(13)1-2-5(6)7-11-12-8(10)14-7/h1-3,13H,(H2,10,12)
InChIKeyQVHZGSQAOXEUKV-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.63
Rot. Bonds1

About 4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol

4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol (PubChem CID 136751543) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol.

Molecular Properties

Compound Name4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol
PubChem CID136751543
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC Name4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol
SMILESNc1nnc(-c2ccc(O)cc2F)s1
InChIInChI=1S/C8H6FN3OS/c9-6-3-4(13)1-2-5(6)7-11-12-8(10)14-7/h1-3,13H,(H2,10,12)
InChIKeyQVHZGSQAOXEUKV-UHFFFAOYSA-N
XLogP1.63
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenyl] benzoate
CID 168719676
3-fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)thiophen-2-yl]phenol
CID 71624341
4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889727
2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
CID 63383605
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
CID 59525067
3-fluoro-4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
CID 136751648
4-(2-fluoro-4-hydroxyphenyl)benzene-1,2,3-triol
CID 175418181
4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
CID 117283395
3-fluoro-4-[5-[4-[5-(2-fluoro-4-hydroxyphenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenol
CID 177321104
5-(2,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091156
3-fluoro-4-pyridin-4-ylphenol
CID 135740652
3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136751643

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol?
The IUPAC name of 4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol (CID 136751543) is 4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol.
What is the SMILES notation for 4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol?
The canonical SMILES for 4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol is Nc1nnc(-c2ccc(O)cc2F)s1.
What is the InChIKey of 4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol?
The InChIKey is QVHZGSQAOXEUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c9-6-3-4(13)1-2-5(6)7-11-12-8(10)14-7/h1-3,13H,(H2,10,12).
What are the key properties of 4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol?
4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol has a molecular weight of 211.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol is sourced from PubChem (CID 136751543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).