methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate

C15H14N2O5S — CID 13177565

IUPACmethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccccc2C(=O)OC)cs1
InChIInChI=1S/C15H14N2O5S/c1-3-22-14(20)12(18)17-15-16-11(8-23-15)9-6-4-5-7-10(9)13(19)21-2/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyVPVKWBRARXRAPP-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.10
Rot. Bonds4

About methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate

methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate (PubChem CID 13177565) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate
PubChem CID13177565
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Namemethyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccccc2C(=O)OC)cs1
InChIInChI=1S/C15H14N2O5S/c1-3-22-14(20)12(18)17-15-16-11(8-23-15)9-6-4-5-7-10(9)13(19)21-2/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyVPVKWBRARXRAPP-UHFFFAOYSA-N
XLogP2.10
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-benzofuran-1(3H)-one
CID 6710578
N-(4-Methyl-thiazol-2-yl)-phthalamic acid
CID 653107
Ethyl 2-benzamido-1,3-thiazole-4-carboxylate
CID 4067950
N-(4-Phenyl-thiazol-2-yl)-phthalamic acid
CID 739384
Methyl 4-(2-aminothiazol-4-yl)benzoate
CID 2060012
[1-[[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 3258917
Ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2764233
Methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 58033027
Methyl 4-(2-(5,6-dihydro-1,4-dioxine-2-carboxamido)thiazol-4-yl)benzoate
CID 4103238
Ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 2334129
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2371424
[2-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
CID 2379341

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate?
The IUPAC name of methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate (CID 13177565) is methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate.
What is the SMILES notation for methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate?
The canonical SMILES for methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate is CCOC(=O)C(=O)Nc1nc(-c2ccccc2C(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate?
The InChIKey is VPVKWBRARXRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-3-22-14(20)12(18)17-15-16-11(8-23-15)9-6-4-5-7-10(9)13(19)21-2/h4-8H,3H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate?
methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate has a molecular weight of 334.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate is sourced from PubChem (CID 13177565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).