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

C8H7N3OS — CID 936815

IUPAC4-(5-amino-1,3,4-thiadiazol-2-yl)phenol
SMILESNc1nnc(-c2ccc(O)cc2)s1
InChIInChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11)
InChIKeyZLHDTOUWXDZDGO-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.49
Rot. Bonds1

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

4-(5-amino-1,3,4-thiadiazol-2-yl)phenol (PubChem CID 936815) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-amino-1,3,4-thiadiazol-2-yl)phenol
PubChem CID936815
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name4-(5-amino-1,3,4-thiadiazol-2-yl)phenol
SMILESNc1nnc(-c2ccc(O)cc2)s1
InChIInChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11)
InChIKeyZLHDTOUWXDZDGO-UHFFFAOYSA-N
XLogP1.49
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.49
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)phenol?
The IUPAC name of 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol (CID 936815) is 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol.
What is the SMILES notation for 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol?
The canonical SMILES for 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol is Nc1nnc(-c2ccc(O)cc2)s1.
What is the InChIKey of 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol?
The InChIKey is ZLHDTOUWXDZDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11).
What are the key properties of 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol?
4-(5-amino-1,3,4-thiadiazol-2-yl)phenol has a molecular weight of 193.23 g/mol, XLogP of 1.49, 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)phenol is sourced from PubChem (CID 936815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).