1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

C16H12ClN3OS — CID 711086

IUPAC1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12ClN3OS/c17-12-7-4-8-13(9-12)18-15(21)20-16-19-14(10-22-16)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20,21)
InChIKeyHFTUYKYVCIDUEH-UHFFFAOYSA-N
MW329.81 g/mol
LogP5.11
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 711086) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID711086
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12ClN3OS/c17-12-7-4-8-13(9-12)18-15(21)20-16-19-14(10-22-16)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20,21)
InChIKeyHFTUYKYVCIDUEH-UHFFFAOYSA-N
XLogP5.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.81
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-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-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 711086) is 1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is HFTUYKYVCIDUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-12-7-4-8-13(9-12)18-15(21)20-16-19-14(10-22-16)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 329.81 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 711086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).