ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate

C13H14N2O3S — CID 2769692

IUPACethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C13H14N2O3S/c1-3-18-12(16)11-8-19-13(15-11)14-9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyIPUZBCRNFHBQLY-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.07
Rot. Bonds5

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

ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate (PubChem CID 2769692) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate
PubChem CID2769692
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Nameethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C13H14N2O3S/c1-3-18-12(16)11-8-19-13(15-11)14-9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyIPUZBCRNFHBQLY-UHFFFAOYSA-N
XLogP3.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
[2-(4-Methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4519833
2-{2-[1-(4-Ethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 646280
2-{2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 652258
Ethyl (2-anilino-1,3-thiazol-4-yl)[(4-methoxyphenyl)hydrazono]acetate
CID 6270287
5-ethyl-N-(4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 70689835
N-(4-cyclopentyloxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 137635973
4-methyl-N-(4-propoxyphenyl)-1,3-thiazol-2-amine
CID 137648841
2-[2-[4-(3,3,3-Trifluoropropoxy)anilino]-1,3-thiazol-4-yl]acetic acid
CID 137657587
2-Phenoxyethyl 2-(4-sulfamoylanilino)-1,3-thiazole-4-carboxylate
CID 168273253
Ethyl 2-[2-({[4-(trifluoromethoxy)anilino]carbonyl}amino)-1,3-thiazol-4-yl]acetate
CID 2814000
N-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 741666

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate (CID 2769692) is ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is IPUZBCRNFHBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-18-12(16)11-8-19-13(15-11)14-9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2769692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).