3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea

C21H21N3O2S — CID 22433456

IUPAC3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(C(C)=O)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H21N3O2S/c1-3-12-24(20(26)22-18-11-7-10-17(13-18)15(2)25)21-23-19(14-27-21)16-8-5-4-6-9-16/h4-11,13-14H,3,12H2,1-2H3,(H,22,26)
InChIKeyFIUQCECYAMSKDF-UHFFFAOYSA-N
MW379.49 g/mol
LogP5.46
Rot. Bonds6

About 3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea

3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea (PubChem CID 22433456) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
PubChem CID22433456
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(C(C)=O)c1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H21N3O2S/c1-3-12-24(20(26)22-18-11-7-10-17(13-18)15(2)25)21-23-19(14-27-21)16-8-5-4-6-9-16/h4-11,13-14H,3,12H2,1-2H3,(H,22,26)
InChIKeyFIUQCECYAMSKDF-UHFFFAOYSA-N
XLogP5.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetylphenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
CID 22433484
3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433461
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
CID 22433301
3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
CID 22433545
N-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175847
3-[(2-methylcyclopropanecarbonyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 55666595
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861592
1-N,3-N-bis(3-aminopropyl)-1-N,3-N-bis(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 66727925
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
CID 22433516
1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea
CID 22433512
1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea
CID 22433513

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea?
The IUPAC name of 3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea (CID 22433456) is 3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea?
The canonical SMILES for 3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea is CCCN(C(=O)Nc1cccc(C(C)=O)c1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea?
The InChIKey is FIUQCECYAMSKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-3-12-24(20(26)22-18-11-7-10-17(13-18)15(2)25)21-23-19(14-27-21)16-8-5-4-6-9-16/h4-11,13-14H,3,12H2,1-2H3,(H,22,26).
What are the key properties of 3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea?
3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea has a molecular weight of 379.49 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea is sourced from PubChem (CID 22433456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).