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

C19H20ClN3OS — CID 142449793

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

3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (PubChem CID 142449793) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
• PubChem CID: 142449793
• Molecular Formula: C19H20ClN3OS
• Molecular Weight: 373.91 g/mol
• Exact Mass: 373.10
• IUPAC Name: 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
• SMILES: Cc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCC(C)S2)cc1C
• InChI: InChI=1S/C19H20ClN3OS/c1-12-4-9-17(10-13(12)2)23(19-21-11-14(3)25-19)18(24)22-16-7-5-15(20)6-8-16/h4-10,14H,11H2,1-3H3,(H,22,24)
• InChIKey: NYWURIUZEHYLGJ-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	373.91
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?

The IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (CID 142449793) is 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.

What is the SMILES notation for 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?

The canonical SMILES for 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is Cc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCC(C)S2)cc1C.

What is the InChIKey of 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?

The InChIKey is NYWURIUZEHYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-12-4-9-17(10-13(12)2)23(19-21-11-14(3)25-19)18(24)22-16-7-5-15(20)6-8-16/h4-10,14H,11H2,1-3H3,(H,22,24).

What are the key properties of 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?

3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea has a molecular weight of 373.91 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 142449793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).