3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea

C21H23N3O3S — CID 22433461

IUPAC3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
SMILESCCCN(C(=O)Nc1cc(OC)ccc1OC)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H23N3O3S/c1-4-12-24(21-23-18(14-28-21)15-8-6-5-7-9-15)20(25)22-17-13-16(26-2)10-11-19(17)27-3/h5-11,13-14H,4,12H2,1-3H3,(H,22,25)
InChIKeyXRBXJTUBUQIGSR-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.28
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea

3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea (PubChem CID 22433461) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
PubChem CID22433461
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
SMILESCCCN(C(=O)Nc1cc(OC)ccc1OC)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H23N3O3S/c1-4-12-24(21-23-18(14-28-21)15-8-6-5-7-9-15)20(25)22-17-13-16(26-2)10-11-19(17)27-3/h5-11,13-14H,4,12H2,1-3H3,(H,22,25)
InChIKeyXRBXJTUBUQIGSR-UHFFFAOYSA-N
XLogP5.28
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea
CID 22433513
3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433456
3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
CID 22433545
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1172644
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxy-N-propylbenzamide
CID 22433180
3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
CID 22433516
3-(2,5-dimethoxyphenyl)-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856033
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3369631
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
CID 22433301
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea (CID 22433461) is 3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea is CCCN(C(=O)Nc1cc(OC)ccc1OC)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea?
The InChIKey is XRBXJTUBUQIGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-12-24(21-23-18(14-28-21)15-8-6-5-7-9-15)20(25)22-17-13-16(26-2)10-11-19(17)27-3/h5-11,13-14H,4,12H2,1-3H3,(H,22,25).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea?
3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea has a molecular weight of 397.50 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea is sourced from PubChem (CID 22433461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).