ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate

C9H12N2O3S — CID 17164247

IUPACethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(C)=O
InChIInChI=1S/C9H12N2O3S/c1-4-14-9(13)7-5(2)11-15-8(7)10-6(3)12/h4H2,1-3H3,(H,10,12)
InChIKeyOCIYVYIEXQYNFF-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.59
Rot. Bonds3

About ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 17164247) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID17164247
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Nameethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(C)=O
InChIInChI=1S/C9H12N2O3S/c1-4-14-9(13)7-5(2)11-15-8(7)10-6(3)12/h4H2,1-3H3,(H,10,12)
InChIKeyOCIYVYIEXQYNFF-UHFFFAOYSA-N
XLogP1.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-[(cyclohexylcarbonyl)amino]-3-methyl-4-isothiazolecarboxylate
CID 6470295
Ethyl 5-amino-3-methylisothiazole-4-carboxylate
CID 2820511
3-[3-Methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 17476799
Ethyl 5-(ethoxycarbonylamino)-3-methylisothiazole-4-carboxylate
CID 843005
Ethyl 5-(cyclobutylcarbonylamino)-3-methylisothiazole-4-carboxylate
CID 6465368
Ethyl 3-methyl-5-[(2-methyl-1-propanoylazetidine-2-carbonyl)amino]-1,2-thiazole-4-carboxylate
CID 49789867
Ethyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate
CID 45089557
[2-(Butan-2-ylamino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 16322083
Methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 13216993
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 29680255
3-Methyl-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60870139
3-Methyl-5-(3,3,3-trifluoropropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 60871360

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate (CID 17164247) is ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC(C)=O.
What is the InChIKey of ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is OCIYVYIEXQYNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-4-14-9(13)7-5(2)11-15-8(7)10-6(3)12/h4H2,1-3H3,(H,10,12).
What are the key properties of ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 228.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 17164247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).