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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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).