ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate

C14H16N2O4S — CID 78920620

IUPACethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C14H16N2O4S/c1-4-20-13(17)11-8-21-14(16-11)15-10-7-9(18-2)5-6-12(10)19-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyLOJSODXOHVWFJN-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.08
Rot. Bonds6

About ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate

ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate (PubChem CID 78920620) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate
PubChem CID78920620
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Nameethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C14H16N2O4S/c1-4-20-13(17)11-8-21-14(16-11)15-10-7-9(18-2)5-6-12(10)19-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyLOJSODXOHVWFJN-UHFFFAOYSA-N
XLogP3.08
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-(2-{[(3-methoxyanilino)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 2813997
N-(2-((2,5-Dimethoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)propionamide
CID 1144688
N-(2,5-dimethoxyphenyl)-4-thien-2-yl-1,3-thiazol-2-amine
CID 2902532
Ethyl 2-((4-methoxyphenyl)amino)-1,3-thiazole-4-carboxylate
CID 2769692
5-[2-(2-Methoxy-phenylamino)-thiazol-4-yl]-5-methyl-dihydro-furan-2-one
CID 646701
5-[2-(2,5-Dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 654122
N-[5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pent-4-enamide
CID 11958455
N-(2,5-dimethoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567668
N-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 741666
2-{2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 3189438
N-(2,5-dimethoxyphenyl)-4-(2,4-dimethyl-5-thiazolyl)-2-thiazolamine
CID 3144344
Ethyl 2-(3-(3-methoxyphenyl)ureido)thiazole-4-carboxylate
CID 4518728

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate (CID 78920620) is ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is LOJSODXOHVWFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-4-20-13(17)11-8-21-14(16-11)15-10-7-9(18-2)5-6-12(10)19-3/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 308.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 78920620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).