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

C10H14N2O3S — CID 886209

IUPACethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(C)C(C)=O)nc1C
InChIInChI=1S/C10H14N2O3S/c1-5-15-9(14)8-6(2)11-10(16-8)12(4)7(3)13/h5H2,1-4H3
InChIKeyQUYPYEYQAFHKSV-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.61
Rot. Bonds3

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

ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 886209) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID886209
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(C)C(C)=O)nc1C
InChIInChI=1S/C10H14N2O3S/c1-5-15-9(14)8-6(2)11-10(16-8)12(4)7(3)13/h5H2,1-4H3
InChIKeyQUYPYEYQAFHKSV-UHFFFAOYSA-N
XLogP1.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 886209) is ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N(C)C(C)=O)nc1C.
What is the InChIKey of ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is QUYPYEYQAFHKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-5-15-9(14)8-6(2)11-10(16-8)12(4)7(3)13/h5H2,1-4H3.
What are the key properties of ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[acetyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 886209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).