2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid

C13H12N2O4S — CID 82030598

IUPAC2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCOC(=O)c1ccc(Nc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C13H12N2O4S/c1-2-19-12(18)8-3-5-9(6-4-8)14-13-15-10(7-20-13)11(16)17/h3-7H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyHQBNHCVFRWPKLC-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid

2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 82030598) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID82030598
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCOC(=O)c1ccc(Nc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C13H12N2O4S/c1-2-19-12(18)8-3-5-9(6-4-8)14-13-15-10(7-20-13)11(16)17/h3-7H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyHQBNHCVFRWPKLC-UHFFFAOYSA-N
XLogP2.76
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 4-[[2-(2-anilino-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 30940427
2-(4-butoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 82030619
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023863
ethyl 2-(3,4-dicyanoanilino)-1,3-thiazole-4-carboxylate
CID 107794704
ethyl 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 58910528
2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024072
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
CID 23613697
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate
CID 115379577

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid (CID 82030598) is 2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid is CCOC(=O)c1ccc(Nc2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is HQBNHCVFRWPKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-2-19-12(18)8-3-5-9(6-4-8)14-13-15-10(7-20-13)11(16)17/h3-7H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid?
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82030598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).