ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate

C15H16N2O4S — CID 2381436

IUPACethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(OCC)cc2)n1
InChIInChI=1S/C15H16N2O4S/c1-3-20-11-7-5-10(6-8-11)13(18)17-15-16-12(9-22-15)14(19)21-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyPMQMLXZQOLPKJU-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.97
Rot. Bonds6

About ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 2381436) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID2381436
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Nameethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(OCC)cc2)n1
InChIInChI=1S/C15H16N2O4S/c1-3-20-11-7-5-10(6-8-11)13(18)17-15-16-12(9-22-15)14(19)21-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyPMQMLXZQOLPKJU-UHFFFAOYSA-N
XLogP2.97
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate (CID 2381436) is ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(OCC)cc2)n1.
What is the InChIKey of ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is PMQMLXZQOLPKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-3-20-11-7-5-10(6-8-11)13(18)17-15-16-12(9-22-15)14(19)21-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2381436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).