[2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

C16H19N3O3S — CID 9266986

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCCc1ccccc1NC(=O)COC(=O)c1c(C)nsc1NC
InChIInChI=1S/C16H19N3O3S/c1-4-11-7-5-6-8-12(11)18-13(20)9-22-16(21)14-10(2)19-23-15(14)17-3/h5-8,17H,4,9H2,1-3H3,(H,18,20)
InChIKeyZLWUAJSLBJOMOW-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.85
Rot. Bonds6

About [2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

[2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (PubChem CID 9266986) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
PubChem CID9266986
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCCc1ccccc1NC(=O)COC(=O)c1c(C)nsc1NC
InChIInChI=1S/C16H19N3O3S/c1-4-11-7-5-6-8-12(11)18-13(20)9-22-16(21)14-10(2)19-23-15(14)17-3/h5-8,17H,4,9H2,1-3H3,(H,18,20)
InChIKeyZLWUAJSLBJOMOW-UHFFFAOYSA-N
XLogP2.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 9327476
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CID 9327549
CID 9327549
CID 9266974
CID 9266974
CID 9327499
CID 9327499
CID 16315924
CID 16315924
CID 16309167
CID 16309167
CID 9268663
CID 9268663
CID 8003557
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CID 3674087
CID 3674087

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (CID 9266986) is [2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is CCc1ccccc1NC(=O)COC(=O)c1c(C)nsc1NC.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is ZLWUAJSLBJOMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-4-11-7-5-6-8-12(11)18-13(20)9-22-16(21)14-10(2)19-23-15(14)17-3/h5-8,17H,4,9H2,1-3H3,(H,18,20).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
[2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 333.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 9266986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).