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

C18H16ClN3OS — CID 22433545

IUPAC3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESCCN(C(=O)Nc1ccccc1Cl)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H16ClN3OS/c1-2-22(17(23)20-15-11-7-6-10-14(15)19)18-21-16(12-24-18)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,20,23)
InChIKeyDHAODWYDKQESCG-UHFFFAOYSA-N
MW357.87 g/mol
LogP5.52
Rot. Bonds4

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

3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 22433545) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID22433545
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESCCN(C(=O)Nc1ccccc1Cl)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H16ClN3OS/c1-2-22(17(23)20-15-11-7-6-10-14(15)19)18-21-16(12-24-18)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,20,23)
InChIKeyDHAODWYDKQESCG-UHFFFAOYSA-N
XLogP5.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.87
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea
CID 22433491
3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
CID 22433516
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-ethyl-3-(2-nitrophenyl)urea
CID 28703312
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861592
3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433461
1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-ethyl-3-(2-nitrophenyl)urea
CID 28703333
3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433456
N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
CID 2295552
N-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175847
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide
CID 1175983
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3173507
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea (CID 22433545) is 3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea is CCN(C(=O)Nc1ccccc1Cl)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is DHAODWYDKQESCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-2-22(17(23)20-15-11-7-6-10-14(15)19)18-21-16(12-24-18)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,20,23).
What are the key properties of 3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea?
3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 357.87 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 22433545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).