ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate

C13H12N2O3S — CID 110692261

IUPACethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccns1
InChIInChI=1S/C13H12N2O3S/c1-2-18-13(17)9-5-3-4-6-10(9)15-12(16)11-7-8-14-19-11/h3-8H,2H2,1H3,(H,15,16)
InChIKeyDVVWETGIQKPEQH-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.57
Rot. Bonds4

About ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate

ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate (PubChem CID 110692261) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
PubChem CID110692261
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Nameethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccns1
InChIInChI=1S/C13H12N2O3S/c1-2-18-13(17)9-5-3-4-6-10(9)15-12(16)11-7-8-14-19-11/h3-8H,2H2,1H3,(H,15,16)
InChIKeyDVVWETGIQKPEQH-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-1,2-thiazole-5-carboxamide
CID 110692203
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate
CID 19205138
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
CID 110696258
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[(1-oxoisothiochromene-3-carbonyl)amino]benzoate
CID 20896755
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]benzoate
CID 110600656
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate?
The IUPAC name of ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate (CID 110692261) is ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate.
What is the SMILES notation for ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate?
The canonical SMILES for ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccns1.
What is the InChIKey of ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate?
The InChIKey is DVVWETGIQKPEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-2-18-13(17)9-5-3-4-6-10(9)15-12(16)11-7-8-14-19-11/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate?
ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate has a molecular weight of 276.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate is sourced from PubChem (CID 110692261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).