ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

C13H12N2O4S — CID 13177556

IUPACethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C13H12N2O4S/c1-2-19-12(18)11(17)15-13-14-10(7-20-13)8-4-3-5-9(16)6-8/h3-7,16H,2H2,1H3,(H,14,15,17)
InChIKeyGBCYUVKBAKGRIQ-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.02
Rot. Bonds3

About ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (PubChem CID 13177556) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
PubChem CID13177556
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Nameethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C13H12N2O4S/c1-2-19-12(18)11(17)15-13-14-10(7-20-13)8-4-3-5-9(16)6-8/h3-7,16H,2H2,1H3,(H,14,15,17)
InChIKeyGBCYUVKBAKGRIQ-UHFFFAOYSA-N
XLogP2.02
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxo-2-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]acetate
CID 3068160
2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 164888892
ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 3068161
ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate
CID 13177563
ethyl 3-[[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 164907004
(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637089
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 56794589
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
CID 13157648
2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119694884
diethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
CID 88647788
[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
CID 43551246

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (CID 13177556) is ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1nc(-c2cccc(O)c2)cs1.
What is the InChIKey of ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The InChIKey is GBCYUVKBAKGRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-2-19-12(18)11(17)15-13-14-10(7-20-13)8-4-3-5-9(16)6-8/h3-7,16H,2H2,1H3,(H,14,15,17).
What are the key properties of ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate has a molecular weight of 292.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 13177556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).