[4-(thiadiazol-4-yl)phenyl]urea

C9H8N4OS — CID 123562440

IUPAC[4-(thiadiazol-4-yl)phenyl]urea
SMILESNC(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H8N4OS/c10-9(14)11-7-3-1-6(2-4-7)8-5-15-13-12-8/h1-5H,(H3,10,11,14)
InChIKeyXJJKORUHXMLUCP-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.70
Rot. Bonds2

About [4-(thiadiazol-4-yl)phenyl]urea

[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 123562440) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is [4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID123562440
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name[4-(thiadiazol-4-yl)phenyl]urea
SMILESNC(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H8N4OS/c10-9(14)11-7-3-1-6(2-4-7)8-5-15-13-12-8/h1-5H,(H3,10,11,14)
InChIKeyXJJKORUHXMLUCP-UHFFFAOYSA-N
XLogP1.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(thiadiazol-4-yl)phenyl]urea 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 [4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of [4-(thiadiazol-4-yl)phenyl]urea (CID 123562440) is [4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for [4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for [4-(thiadiazol-4-yl)phenyl]urea is NC(=O)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of [4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is XJJKORUHXMLUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c10-9(14)11-7-3-1-6(2-4-7)8-5-15-13-12-8/h1-5H,(H3,10,11,14).
What are the key properties of [4-(thiadiazol-4-yl)phenyl]urea?
[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 220.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 123562440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).