ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate

C13H12N2O3S — CID 110289998

IUPACethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
SMILESCCOC(=O)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H12N2O3S/c1-2-18-13(17)11(16)15-10-5-3-9(4-6-10)12-14-7-8-19-12/h3-8H,2H2,1H3,(H,15,16)
InChIKeyQRTMSWXLJFMOHU-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.31
Rot. Bonds3

About ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate

ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate (PubChem CID 110289998) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
PubChem CID110289998
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Nameethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
SMILESCCOC(=O)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H12N2O3S/c1-2-18-13(17)11(16)15-10-5-3-9(4-6-10)12-14-7-8-19-12/h3-8H,2H2,1H3,(H,15,16)
InChIKeyQRTMSWXLJFMOHU-UHFFFAOYSA-N
XLogP2.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate
CID 110461558
1-butyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103578
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
ethyl 2,4-dimethyl-5-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 26173698
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide
CID 27701568
2-[(2-methylpropan-2-yl)oxy]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 115950100
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate?
The IUPAC name of ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate (CID 110289998) is ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate is CCOC(=O)C(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate?
The InChIKey is QRTMSWXLJFMOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-2-18-13(17)11(16)15-10-5-3-9(4-6-10)12-14-7-8-19-12/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate?
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate has a molecular weight of 276.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate is sourced from PubChem (CID 110289998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).