[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate

C12H11N3O3S — CID 5223064

IUPAC[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCC(=O)Nc1nccs1
InChIInChI=1S/C12H11N3O3S/c13-9-4-2-1-3-8(9)11(17)18-7-10(16)15-12-14-5-6-19-12/h1-6H,7,13H2,(H,14,15,16)
InChIKeyOKSQIEKMQJYMNH-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.52
Rot. Bonds4

About [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate (PubChem CID 5223064) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate
PubChem CID5223064
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCC(=O)Nc1nccs1
InChIInChI=1S/C12H11N3O3S/c13-9-4-2-1-3-8(9)11(17)18-7-10(16)15-12-14-5-6-19-12/h1-6H,7,13H2,(H,14,15,16)
InChIKeyOKSQIEKMQJYMNH-UHFFFAOYSA-N
XLogP1.52
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate
CID 3407042
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 23999374
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
CID 23745766
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
methyl 4-amino-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoate
CID 93204037
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate
CID 46924909
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 2423498
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 143922390
2-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 1301072

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate?
The IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate (CID 5223064) is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate.
What is the SMILES notation for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate?
The canonical SMILES for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate is Nc1ccccc1C(=O)OCC(=O)Nc1nccs1.
What is the InChIKey of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate?
The InChIKey is OKSQIEKMQJYMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c13-9-4-2-1-3-8(9)11(17)18-7-10(16)15-12-14-5-6-19-12/h1-6H,7,13H2,(H,14,15,16).
What are the key properties of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate?
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate has a molecular weight of 277.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate is sourced from PubChem (CID 5223064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).