3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea

C19H20ClN3OS — CID 2729366

IUPAC3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea
SMILESCC1CN=C(N(CCc2ccccc2)C(=O)Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C19H20ClN3OS/c1-14-13-21-19(25-14)23(12-11-15-5-3-2-4-6-15)18(24)22-17-9-7-16(20)8-10-17/h2-10,14H,11-13H2,1H3,(H,22,24)
InChIKeyZRKZAERFMHVWBX-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.91
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea

3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea (PubChem CID 2729366) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea
PubChem CID2729366
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea
SMILESCC1CN=C(N(CCc2ccccc2)C(=O)Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C19H20ClN3OS/c1-14-13-21-19(25-14)23(12-11-15-5-3-2-4-6-15)18(24)22-17-9-7-16(20)8-10-17/h2-10,14H,11-13H2,1H3,(H,22,24)
InChIKeyZRKZAERFMHVWBX-UHFFFAOYSA-N
XLogP4.91
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)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 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea (CID 2729366) is 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea is CC1CN=C(N(CCc2ccccc2)C(=O)Nc2ccc(Cl)cc2)S1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea?
The InChIKey is ZRKZAERFMHVWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-14-13-21-19(25-14)23(12-11-15-5-3-2-4-6-15)18(24)22-17-9-7-16(20)8-10-17/h2-10,14H,11-13H2,1H3,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea?
3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea has a molecular weight of 373.91 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea is sourced from PubChem (CID 2729366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).