1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea

C8H14N4OS2 — CID 118947690

IUPAC1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea
SMILESO=C(NCCCCCS)Nc1cnns1
InChIInChI=1S/C8H14N4OS2/c13-8(9-4-2-1-3-5-14)11-7-6-10-12-15-7/h6,14H,1-5H2,(H2,9,11,13)
InChIKeyNWCAJOPNBULQMX-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.76
Rot. Bonds6

About 1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea

1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea (PubChem CID 118947690) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea
PubChem CID118947690
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC Name1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea
SMILESO=C(NCCCCCS)Nc1cnns1
InChIInChI=1S/C8H14N4OS2/c13-8(9-4-2-1-3-5-14)11-7-6-10-12-15-7/h6,14H,1-5H2,(H2,9,11,13)
InChIKeyNWCAJOPNBULQMX-UHFFFAOYSA-N
XLogP1.76
TPSA66.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(5-sulfanylpentyl)-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-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea (CID 118947690) is 1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea is O=C(NCCCCCS)Nc1cnns1.
What is the InChIKey of 1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is NWCAJOPNBULQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c13-8(9-4-2-1-3-5-14)11-7-6-10-12-15-7/h6,14H,1-5H2,(H2,9,11,13).
What are the key properties of 1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea?
1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 246.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-sulfanylpentyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).