ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate

C13H11ClN2O3S — CID 69145203

IUPACethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(=O)c2ccccc2Cl)sc1N
InChIInChI=1S/C13H11ClN2O3S/c1-2-19-13(18)9-11(15)20-12(16-9)10(17)7-5-3-4-6-8(7)14/h3-6H,2,15H2,1H3
InChIKeyQGUPWJUQVAXEHH-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.79
Rot. Bonds4

About ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate (PubChem CID 69145203) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate
PubChem CID69145203
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Nameethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(=O)c2ccccc2Cl)sc1N
InChIInChI=1S/C13H11ClN2O3S/c1-2-19-13(18)9-11(15)20-12(16-9)10(17)7-5-3-4-6-8(7)14/h3-6H,2,15H2,1H3
InChIKeyQGUPWJUQVAXEHH-UHFFFAOYSA-N
XLogP2.79
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830
ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 1214572
ethyl 2-[[5-amino-6-(2-chloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19147988
ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 53271473
ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 83777894
ethyl 5-acetyl-2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 107376342
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
ethyl 5-[(2-chloroacetyl)amino]-4-(2-chlorobenzoyl)thiophene-2-carboxylate
CID 19085208
(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
CID 859637
ethyl 2-(2-chloro-6-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526266
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate (CID 69145203) is ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(=O)c2ccccc2Cl)sc1N.
What is the InChIKey of ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QGUPWJUQVAXEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-2-19-13(18)9-11(15)20-12(16-9)10(17)7-5-3-4-6-8(7)14/h3-6H,2,15H2,1H3.
What are the key properties of ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate has a molecular weight of 310.76 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 69145203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).