ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate

C10H13NO3S — CID 107376545

IUPACethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)sc1C(C)=O
InChIInChI=1S/C10H13NO3S/c1-4-7-11-8(10(13)14-5-2)9(15-7)6(3)12/h4-5H2,1-3H3
InChIKeyPLNOWUGXYCUDLH-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.08
Rot. Bonds4

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

ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate (PubChem CID 107376545) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate
PubChem CID107376545
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Nameethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)sc1C(C)=O
InChIInChI=1S/C10H13NO3S/c1-4-7-11-8(10(13)14-5-2)9(15-7)6(3)12/h4-5H2,1-3H3
InChIKeyPLNOWUGXYCUDLH-UHFFFAOYSA-N
XLogP2.08
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate
CID 2769386
Ethyl 5-acetyl-4-methylthiazole-2-carboxylate
CID 13485353
Ethyl 5-[3-(dimethylamino)prop-2-enoyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 2745357
Ethyl 2-Chloro-4-Ethyl-5-Thiazolecarboxylate
CID 13282757
Ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate
CID 50998908
5-Acetyl-2-methyl-1,3-thiazole-4-carboxylic acid
CID 58356418
Ethyl 4-(1-fluoroethyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 85797290
Ethyl 2-bromo-5-(1,1-difluoroethyl)-1,3-thiazole-4-carboxylate
CID 156249472
Ethyl 2-chloro-5-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
CID 177178134
Methyl 5-(2-methoxy-2-oxoethyl)-2-methylthiazole-4-carboxylate
CID 67511506
Diethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate
CID 134908109
Ethyl 4-(2-ethoxy-2-oxoacetyl)-2-methyl-1,3-thiazole-5-carboxylate
CID 134918331

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate (CID 107376545) is ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CC)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate?
The InChIKey is PLNOWUGXYCUDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-4-7-11-8(10(13)14-5-2)9(15-7)6(3)12/h4-5H2,1-3H3.
What are the key properties of ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-ethyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107376545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).