1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea

C29H24Cl3N5O5S — CID 11679114

IUPAC1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea
SMILESCOc1cc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)NN3C(=O)CSC3c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC
InChIInChI=1S/C29H24Cl3N5O5S/c1-40-23-10-16(11-24(41-2)26(23)42-3)22-13-21(15-4-6-17(30)7-5-15)33-28(34-22)35-29(39)36-37-25(38)14-43-27(37)19-9-8-18(31)12-20(19)32/h4-13,27H,14H2,1-3H3,(H2,33,34,35,36,39)
InChIKeyOUPCGXIVDUVOND-UHFFFAOYSA-N
MW660.97 g/mol
LogP7.11
Rot. Bonds8

About 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea

1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea (PubChem CID 11679114) has the molecular formula C29H24Cl3N5O5S and a molecular weight of 660.97 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea
PubChem CID11679114
Molecular FormulaC29H24Cl3N5O5S
Molecular Weight660.97 g/mol
Exact Mass659.06
IUPAC Name1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea
SMILESCOc1cc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)NN3C(=O)CSC3c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC
InChIInChI=1S/C29H24Cl3N5O5S/c1-40-23-10-16(11-24(41-2)26(23)42-3)22-13-21(15-4-6-17(30)7-5-15)33-28(34-22)35-29(39)36-37-25(38)14-43-27(37)19-9-8-18(31)12-20(19)32/h4-13,27H,14H2,1-3H3,(H2,33,34,35,36,39)
InChIKeyOUPCGXIVDUVOND-UHFFFAOYSA-N
XLogP7.11
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.97
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]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-[3-chloro-2-(2-nitrophenyl)-4-oxoazetidin-1-yl]-3-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]urea
CID 11498291
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 57331816
2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
2-(4-chlorophenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 25023320
(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1274930
2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126401
3,5-dichloro-N-[2-(2-chloro-6-methoxyquinolin-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 10929578
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 20896216
2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 4133047
2-(6-chloro-3-methylindazol-1-yl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11582799
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
2-(2,4-dichlorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazolidin-4-one
CID 21234013

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea?
The IUPAC name of 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea (CID 11679114) is 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea?
The canonical SMILES for 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea is COc1cc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)NN3C(=O)CSC3c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC.
What is the InChIKey of 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea?
The InChIKey is OUPCGXIVDUVOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl3N5O5S/c1-40-23-10-16(11-24(41-2)26(23)42-3)22-13-21(15-4-6-17(30)7-5-15)33-28(34-22)35-29(39)36-37-25(38)14-43-27(37)19-9-8-18(31)12-20(19)32/h4-13,27H,14H2,1-3H3,(H2,33,34,35,36,39).
What are the key properties of 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea?
1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea has a molecular weight of 660.97 g/mol, XLogP of 7.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]urea is sourced from PubChem (CID 11679114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).