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

C25H26ClN3O6S — CID 171830044

IUPACmethyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(OCc2cc(C(=O)NC3CC3)ccc2Cl)nsc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C25H26ClN3O6S/c1-32-18-8-4-15(20(11-18)33-2)12-27-24-21(25(31)34-3)23(29-36-24)35-13-16-10-14(5-9-19(16)26)22(30)28-17-6-7-17/h4-5,8-11,17,27H,6-7,12-13H2,1-3H3,(H,28,30)
InChIKeyJGVAODDQRPXXHD-UHFFFAOYSA-N
MW532.02 g/mol
LogP4.68
Rot. Bonds11

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

methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate (PubChem CID 171830044) has the molecular formula C25H26ClN3O6S and a molecular weight of 532.02 g/mol. Its IUPAC name is methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate
PubChem CID171830044
Molecular FormulaC25H26ClN3O6S
Molecular Weight532.02 g/mol
Exact Mass531.12
IUPAC Namemethyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(OCc2cc(C(=O)NC3CC3)ccc2Cl)nsc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C25H26ClN3O6S/c1-32-18-8-4-15(20(11-18)33-2)12-27-24-21(25(31)34-3)23(29-36-24)35-13-16-10-14(5-9-19(16)26)22(30)28-17-6-7-17/h4-5,8-11,17,27H,6-7,12-13H2,1-3H3,(H,28,30)
InChIKeyJGVAODDQRPXXHD-UHFFFAOYSA-N
XLogP4.68
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.02
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-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 5-[(2,4-dimethoxyphenyl)methylamino]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]-1,2-thiazole-4-carboxylate
CID 171829691
methyl 5-[(2,4-dimethoxyphenyl)methylamino]-3-[(3-fluoro-4-methoxyphenyl)methoxy]-1,2-thiazole-4-carboxylate
CID 171829647
methyl 3-[(4-cyano-2-fluorophenyl)methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 171829984
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide
CID 18752941
methyl 3-[[5-(cyclopropylcarbamoyl)-2-fluorophenyl]methoxy]-5-[3-[(3R)-3-fluoropyrrolidin-1-yl]propylcarbamoylamino]-1,2-thiazole-4-carboxylate
CID 171829608
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
methyl 3-[[5-(cyclopropylcarbamoyl)-2-fluorophenyl]methoxy]-5-[3-[(3R)-3-hydroxypyrrolidin-1-yl]propylcarbamoylamino]-1,2-thiazole-4-carboxylate
CID 171829819
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
N-cyclopropyl-3-[(4-methoxy-2-methylphenyl)methylamino]benzamide
CID 167899942

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate (CID 171830044) is methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(OCc2cc(C(=O)NC3CC3)ccc2Cl)nsc1NCc1ccc(OC)cc1OC.
What is the InChIKey of methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is JGVAODDQRPXXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O6S/c1-32-18-8-4-15(20(11-18)33-2)12-27-24-21(25(31)34-3)23(29-36-24)35-13-16-10-14(5-9-19(16)26)22(30)28-17-6-7-17/h4-5,8-11,17,27H,6-7,12-13H2,1-3H3,(H,28,30).
What are the key properties of methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate?
methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 532.02 g/mol, XLogP of 4.68, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-chloro-5-(cyclopropylcarbamoyl)phenyl]methoxy]-5-[(2,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 171830044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).