1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea

C17H17N3OS — CID 917499

IUPAC1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccccc1)C1=NCCS1
InChIInChI=1S/C17H17N3OS/c21-16(19-15-9-5-2-6-10-15)20(17-18-11-12-22-17)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,21)
InChIKeyRJEFUGUAZORYQC-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.82
Rot. Bonds3

About 1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea

1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea (PubChem CID 917499) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
PubChem CID917499
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccccc1)C1=NCCS1
InChIInChI=1S/C17H17N3OS/c21-16(19-15-9-5-2-6-10-15)20(17-18-11-12-22-17)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,21)
InChIKeyRJEFUGUAZORYQC-UHFFFAOYSA-N
XLogP3.82
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea 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-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea (CID 917499) is 1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea is O=C(Nc1ccccc1)N(Cc1ccccc1)C1=NCCS1.
What is the InChIKey of 1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The InChIKey is RJEFUGUAZORYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-16(19-15-9-5-2-6-10-15)20(17-18-11-12-22-17)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,21).
What are the key properties of 1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea has a molecular weight of 311.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 917499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).