1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea

C17H18N4OS2 — CID 75457774

IUPAC1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea
SMILESCCCN(Cc1ccccc1)C(=O)Nc1nc(-c2ccsc2)ns1
InChIInChI=1S/C17H18N4OS2/c1-2-9-21(11-13-6-4-3-5-7-13)17(22)19-16-18-15(20-24-16)14-8-10-23-12-14/h3-8,10,12H,2,9,11H2,1H3,(H,18,19,20,22)
InChIKeyVHJUTFPJNPGWNJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.71
Rot. Bonds6

About 1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea

1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 75457774) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea
PubChem CID75457774
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea
SMILESCCCN(Cc1ccccc1)C(=O)Nc1nc(-c2ccsc2)ns1
InChIInChI=1S/C17H18N4OS2/c1-2-9-21(11-13-6-4-3-5-7-13)17(22)19-16-18-15(20-24-16)14-8-10-23-12-14/h3-8,10,12H,2,9,11H2,1H3,(H,18,19,20,22)
InChIKeyVHJUTFPJNPGWNJ-UHFFFAOYSA-N
XLogP4.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-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-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea (CID 75457774) is 1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea is CCCN(Cc1ccccc1)C(=O)Nc1nc(-c2ccsc2)ns1.
What is the InChIKey of 1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is VHJUTFPJNPGWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-2-9-21(11-13-6-4-3-5-7-13)17(22)19-16-18-15(20-24-16)14-8-10-23-12-14/h3-8,10,12H,2,9,11H2,1H3,(H,18,19,20,22).
What are the key properties of 1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea?
1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 358.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 75457774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).