[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate

C19H18N2O6S — CID 55568325

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2nc(-c3ccco3)sc2C)c(OC)c1
InChIInChI=1S/C19H18N2O6S/c1-11-17(21-18(28-11)14-5-4-8-26-14)19(23)27-10-16(22)20-13-7-6-12(24-2)9-15(13)25-3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyXIMPAPIBPFIGSG-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.52
Rot. Bonds7

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 55568325) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID55568325
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2nc(-c3ccco3)sc2C)c(OC)c1
InChIInChI=1S/C19H18N2O6S/c1-11-17(21-18(28-11)14-5-4-8-26-14)19(23)27-10-16(22)20-13-7-6-12(24-2)9-15(13)25-3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyXIMPAPIBPFIGSG-UHFFFAOYSA-N
XLogP3.52
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 55572070
butyl 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 112725402
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 55569376
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 43055914
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676241
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
[2-(2,4-dimethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23915616
N-[4-(furan-2-yl)-2-methoxyphenyl]-2-methoxyacetamide
CID 168524887
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 17417789

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate (CID 55568325) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate is COc1ccc(NC(=O)COC(=O)c2nc(-c3ccco3)sc2C)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is XIMPAPIBPFIGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-11-17(21-18(28-11)14-5-4-8-26-14)19(23)27-10-16(22)20-13-7-6-12(24-2)9-15(13)25-3/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 402.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55568325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).