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

C22H23FN2O6S — CID 171829647

IUPACmethyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(OCc2ccc(OC)c(F)c2)nsc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C22H23FN2O6S/c1-27-15-7-6-14(18(10-15)29-3)11-24-21-19(22(26)30-4)20(25-32-21)31-12-13-5-8-17(28-2)16(23)9-13/h5-10,24H,11-12H2,1-4H3
InChIKeyOEDOWMRQWOJSGL-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.29
Rot. Bonds10

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

methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate (PubChem CID 171829647) has the molecular formula C22H23FN2O6S and a molecular weight of 462.50 g/mol. Its IUPAC name is methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate
PubChem CID171829647
Molecular FormulaC22H23FN2O6S
Molecular Weight462.50 g/mol
Exact Mass462.13
IUPAC Namemethyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(OCc2ccc(OC)c(F)c2)nsc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C22H23FN2O6S/c1-27-15-7-6-14(18(10-15)29-3)11-24-21-19(22(26)30-4)20(25-32-21)31-12-13-5-8-17(28-2)16(23)9-13/h5-10,24H,11-12H2,1-4H3
InChIKeyOEDOWMRQWOJSGL-UHFFFAOYSA-N
XLogP4.29
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate with MolForge

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Related Compounds

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
methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate
CID 171829691
methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 171830044
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
5-[(2,4-dimethoxyphenyl)methylamino]-4-methoxycarbonylpyridine-3-carboxylic acid
CID 175285325
methyl 5-amino-3-[[4-fluoro-3-(methylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate
CID 171829947

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate (CID 171829647) is methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate is COC(=O)c1c(OCc2ccc(OC)c(F)c2)nsc1NCc1ccc(OC)cc1OC.
What is the InChIKey of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate?
The InChIKey is OEDOWMRQWOJSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O6S/c1-27-15-7-6-14(18(10-15)29-3)11-24-21-19(22(26)30-4)20(25-32-21)31-12-13-5-8-17(28-2)16(23)9-13/h5-10,24H,11-12H2,1-4H3.
What are the key properties of methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate?
methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate has a molecular weight of 462.50 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 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-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 171829647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).