ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H18N2O4S — CID 3149826

IUPACethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2OCC)nc1C
InChIInChI=1S/C16H18N2O4S/c1-4-21-12-9-7-6-8-11(12)14(19)18-16-17-10(3)13(23-16)15(20)22-5-2/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyNLEBDEFUWFVLLA-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.28
Rot. Bonds6

About ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 3149826) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID3149826
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2OCC)nc1C
InChIInChI=1S/C16H18N2O4S/c1-4-21-12-9-7-6-8-11(12)14(19)18-16-17-10(3)13(23-16)15(20)22-5-2/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyNLEBDEFUWFVLLA-UHFFFAOYSA-N
XLogP3.28
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 3149826) is ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccccc2OCC)nc1C.
What is the InChIKey of ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is NLEBDEFUWFVLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-4-21-12-9-7-6-8-11(12)14(19)18-16-17-10(3)13(23-16)15(20)22-5-2/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3149826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).