[2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol

C9H9N3OS — CID 67606133

IUPAC[2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol
SMILESOCc1ccccc1Nc1ncsn1
InChIInChI=1S/C9H9N3OS/c13-5-7-3-1-2-4-8(7)11-9-10-6-14-12-9/h1-4,6,13H,5H2,(H,11,12)
InChIKeyWDTHXUSIBRPZTL-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.77
Rot. Bonds3

About [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol

[2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol (PubChem CID 67606133) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol
PubChem CID67606133
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name[2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol
SMILESOCc1ccccc1Nc1ncsn1
InChIInChI=1S/C9H9N3OS/c13-5-7-3-1-2-4-8(7)11-9-10-6-14-12-9/h1-4,6,13H,5H2,(H,11,12)
InChIKeyWDTHXUSIBRPZTL-UHFFFAOYSA-N
XLogP1.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol?
The IUPAC name of [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol (CID 67606133) is [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol.
What is the SMILES notation for [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol?
The canonical SMILES for [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol is OCc1ccccc1Nc1ncsn1.
What is the InChIKey of [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol?
The InChIKey is WDTHXUSIBRPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c13-5-7-3-1-2-4-8(7)11-9-10-6-14-12-9/h1-4,6,13H,5H2,(H,11,12).
What are the key properties of [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol?
[2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol has a molecular weight of 207.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,4-thiadiazol-3-ylamino)phenyl]methanol is sourced from PubChem (CID 67606133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).