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

C13H13N3O3S — CID 110317930

IUPACethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
SMILESCCOC(=O)C(=O)NCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H13N3O3S/c1-2-19-13(18)12(17)15-7-11-16-10(8-20-11)9-5-3-4-6-14-9/h3-6,8H,2,7H2,1H3,(H,15,17)
InChIKeyTVPVSARFYUHGLL-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.38
Rot. Bonds4

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

ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate (PubChem CID 110317930) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
PubChem CID110317930
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Nameethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
SMILESCCOC(=O)C(=O)NCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H13N3O3S/c1-2-19-13(18)12(17)15-7-11-16-10(8-20-11)9-5-3-4-6-14-9/h3-6,8H,2,7H2,1H3,(H,15,17)
InChIKeyTVPVSARFYUHGLL-UHFFFAOYSA-N
XLogP1.38
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 110317941
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 126837101
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110317876
2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110317920
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
ethyl 2-oxo-2-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]acetate
CID 110317808
1-tert-butyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 126837100
N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
CID 126829364
2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 126837098
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate?
The IUPAC name of ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate (CID 110317930) is ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate is CCOC(=O)C(=O)NCc1nc(-c2ccccn2)cs1.
What is the InChIKey of ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate?
The InChIKey is TVPVSARFYUHGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-2-19-13(18)12(17)15-7-11-16-10(8-20-11)9-5-3-4-6-14-9/h3-6,8H,2,7H2,1H3,(H,15,17).
What are the key properties of ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate?
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate has a molecular weight of 291.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate is sourced from PubChem (CID 110317930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).