ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate

C10H14N2O3S — CID 107380120

IUPACethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CNC)sc1C(C)=O
InChIInChI=1S/C10H14N2O3S/c1-4-15-10(14)8-9(6(2)13)16-7(12-8)5-11-3/h11H,4-5H2,1-3H3
InChIKeyDCIHFTVYELJUEH-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.24
Rot. Bonds5

About ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate

ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate (PubChem CID 107380120) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate
PubChem CID107380120
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CNC)sc1C(C)=O
InChIInChI=1S/C10H14N2O3S/c1-4-15-10(14)8-9(6(2)13)16-7(12-8)5-11-3/h11H,4-5H2,1-3H3
InChIKeyDCIHFTVYELJUEH-UHFFFAOYSA-N
XLogP1.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate
CID 107380163
ethyl 5-acetyl-2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 107376342
5-acetyl-2-methyl-1,3-thiazole-4-carboxamide;azane;ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate
CID 158653673
ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate
CID 107378211
ethyl 5-acetyl-2-(2,2-difluoroethylamino)-1,3-thiazole-4-carboxylate
CID 107378177
diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate
CID 27277044
ethyl 5-acetyl-2-[(5-amino-5-oxopentyl)amino]-1,3-thiazole-4-carboxylate
CID 106241485
ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136701775
bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
ethyl 5-acetyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106411446
ethyl 5-acetyl-2-[(4-amino-4-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 107378363
ethyl 5-acetyl-2-(2,3,3-trimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 107378230

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate (CID 107380120) is ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CNC)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is DCIHFTVYELJUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-15-10(14)8-9(6(2)13)16-7(12-8)5-11-3/h11H,4-5H2,1-3H3.
What are the key properties of ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107380120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).