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

C12H12N2O3S — CID 82059300

IUPACethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C12H12N2O3S/c1-2-17-11(16)10-7-18-12(14-10)13-8-3-5-9(15)6-4-8/h3-7,15H,2H2,1H3,(H,13,14)
InChIKeyCOMYHSPXDMCUEJ-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.77
Rot. Bonds4

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

ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate (PubChem CID 82059300) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate
PubChem CID82059300
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Nameethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C12H12N2O3S/c1-2-17-11(16)10-7-18-12(14-10)13-8-3-5-9(15)6-4-8/h3-7,15H,2H2,1H3,(H,13,14)
InChIKeyCOMYHSPXDMCUEJ-UHFFFAOYSA-N
XLogP2.77
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-((4-methoxyphenyl)amino)-1,3-thiazole-4-carboxylate
CID 2769692
2-{2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 652258
2-[2-[4-(3,3,3-Trifluoropropoxy)anilino]-1,3-thiazol-4-yl]acetic acid
CID 137657587
Ethyl 2-(phenylamino)-4-thiazolecarboxylate
CID 15053537
Ethyl 2-((3-fluorophenyl)amino)thiazole-4-carboxylate
CID 2769678
Ethyl 2-(3-(3-methoxyphenyl)ureido)thiazole-4-carboxylate
CID 4518728
[2-(4-Ethoxy-phenylamino)-thiazol-4-yl]-acetic acid
CID 842334
Ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate
CID 78920620
Ethyl 2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxylate
CID 80566436
Ethyl 2-(2,5-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 80567875
Ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 112724637
2-[(4-Methoxyphenyl)amino]-1,3-thiazole-4-carboxylic acid
CID 2759631

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate (CID 82059300) is ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2ccc(O)cc2)n1.
What is the InChIKey of ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is COMYHSPXDMCUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-2-17-11(16)10-7-18-12(14-10)13-8-3-5-9(15)6-4-8/h3-7,15H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 82059300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).