methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate

C24H27N3O6S — CID 171829691

IUPACmethyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate
SMILESCCNC(=O)c1cccc(COc2nsc(NCc3ccc(OC)cc3OC)c2C(=O)OC)c1
InChIInChI=1S/C24H27N3O6S/c1-5-25-21(28)16-8-6-7-15(11-16)14-33-22-20(24(29)32-4)23(34-27-22)26-13-17-9-10-18(30-2)12-19(17)31-3/h6-12,26H,5,13-14H2,1-4H3,(H,25,28)
InChIKeyLPYCDYZSHARCSA-UHFFFAOYSA-N
MW485.56 g/mol
LogP3.89
Rot. Bonds11

About methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate

methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate (PubChem CID 171829691) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate
PubChem CID171829691
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Namemethyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate
SMILESCCNC(=O)c1cccc(COc2nsc(NCc3ccc(OC)cc3OC)c2C(=O)OC)c1
InChIInChI=1S/C24H27N3O6S/c1-5-25-21(28)16-8-6-7-15(11-16)14-33-22-20(24(29)32-4)23(34-27-22)26-13-17-9-10-18(30-2)12-19(17)31-3/h6-12,26H,5,13-14H2,1-4H3,(H,25,28)
InChIKeyLPYCDYZSHARCSA-UHFFFAOYSA-N
XLogP3.89
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate 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

methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate
CID 171829647
methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 171830044
methyl 3-[(6-chloro-2-fluoro-3-methoxyphenyl)methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 171829883
methyl 3-[(4-cyano-2-fluorophenyl)methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 171829984
N-tert-butyl-3-[[[[(2,4-dimethoxyphenyl)methylamino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111880171
3-[[[N-[(2,4-dimethoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]-N-ethylbenzamide
CID 111296059
3-[[[N-[(2,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-propylbenzamide
CID 111879079
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
N-butan-2-yl-3-[[[[(2,4-dimethoxyphenyl)methylamino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111879658
N-ethyl-3-[[[ethylamino-[(2-methoxyphenyl)methylamino]methylidene]amino]methyl]benzamide
CID 111216771
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate (CID 171829691) is methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate is CCNC(=O)c1cccc(COc2nsc(NCc3ccc(OC)cc3OC)c2C(=O)OC)c1.
What is the InChIKey of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate?
The InChIKey is LPYCDYZSHARCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-5-25-21(28)16-8-6-7-15(11-16)14-33-22-20(24(29)32-4)23(34-27-22)26-13-17-9-10-18(30-2)12-19(17)31-3/h6-12,26H,5,13-14H2,1-4H3,(H,25,28).
What are the key properties of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate?
methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate has a molecular weight of 485.56 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 171829691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).