1-but-3-enyl-3-(thiadiazol-5-yl)urea

C7H10N4OS — CID 118947658

IUPAC1-but-3-enyl-3-(thiadiazol-5-yl)urea
SMILESC=CCCNC(=O)Nc1cnns1
InChIInChI=1S/C7H10N4OS/c1-2-3-4-8-7(12)10-6-5-9-11-13-6/h2,5H,1,3-4H2,(H2,8,10,12)
InChIKeyUDWHJDFWTFWISY-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.24
Rot. Bonds4

About 1-but-3-enyl-3-(thiadiazol-5-yl)urea

1-but-3-enyl-3-(thiadiazol-5-yl)urea (PubChem CID 118947658) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-but-3-enyl-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-but-3-enyl-3-(thiadiazol-5-yl)urea
PubChem CID118947658
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name1-but-3-enyl-3-(thiadiazol-5-yl)urea
SMILESC=CCCNC(=O)Nc1cnns1
InChIInChI=1S/C7H10N4OS/c1-2-3-4-8-7(12)10-6-5-9-11-13-6/h2,5H,1,3-4H2,(H2,8,10,12)
InChIKeyUDWHJDFWTFWISY-UHFFFAOYSA-N
XLogP1.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-but-3-enyl-3-(thiadiazol-5-yl)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 1-but-3-enyl-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-but-3-enyl-3-(thiadiazol-5-yl)urea (CID 118947658) is 1-but-3-enyl-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-but-3-enyl-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-but-3-enyl-3-(thiadiazol-5-yl)urea is C=CCCNC(=O)Nc1cnns1.
What is the InChIKey of 1-but-3-enyl-3-(thiadiazol-5-yl)urea?
The InChIKey is UDWHJDFWTFWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-2-3-4-8-7(12)10-6-5-9-11-13-6/h2,5H,1,3-4H2,(H2,8,10,12).
What are the key properties of 1-but-3-enyl-3-(thiadiazol-5-yl)urea?
1-but-3-enyl-3-(thiadiazol-5-yl)urea has a molecular weight of 198.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).