1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea

C23H18ClN3OS — CID 121080622

IUPAC1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1
InChIInChI=1S/C23H18ClN3OS/c24-19-10-12-20(13-11-19)25-22(28)27-23-26-21(15-29-23)18-8-6-17(7-9-18)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H2,25,26,27,28)
InChIKeyAFUONYMYJCCZDJ-UHFFFAOYSA-N
MW419.94 g/mol
LogP6.70
Rot. Bonds5

About 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea

1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea (PubChem CID 121080622) has the molecular formula C23H18ClN3OS and a molecular weight of 419.94 g/mol. Its IUPAC name is 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
PubChem CID121080622
Molecular FormulaC23H18ClN3OS
Molecular Weight419.94 g/mol
Exact Mass419.09
IUPAC Name1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1
InChIInChI=1S/C23H18ClN3OS/c24-19-10-12-20(13-11-19)25-22(28)27-23-26-21(15-29-23)18-8-6-17(7-9-18)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H2,25,26,27,28)
InChIKeyAFUONYMYJCCZDJ-UHFFFAOYSA-N
XLogP6.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.94
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080343
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-(benzylamino)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 43814202
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849309
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea (CID 121080622) is 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1.
What is the InChIKey of 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea?
The InChIKey is AFUONYMYJCCZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3OS/c24-19-10-12-20(13-11-19)25-22(28)27-23-26-21(15-29-23)18-8-6-17(7-9-18)14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H2,25,26,27,28).
What are the key properties of 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea?
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea has a molecular weight of 419.94 g/mol, XLogP of 6.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 121080622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).