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

C8H11NO2S — CID 20775037

IUPACethyl 5-ethyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(CC)s1
InChIInChI=1S/C8H11NO2S/c1-3-6-5-9-7(12-6)8(10)11-4-2/h5H,3-4H2,1-2H3
InChIKeyYEXMICFPALTRHK-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.88
Rot. Bonds3

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

ethyl 5-ethyl-1,3-thiazole-2-carboxylate (PubChem CID 20775037) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is ethyl 5-ethyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-1,3-thiazole-2-carboxylate
PubChem CID20775037
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Nameethyl 5-ethyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(CC)s1
InChIInChI=1S/C8H11NO2S/c1-3-6-5-9-7(12-6)8(10)11-4-2/h5H,3-4H2,1-2H3
InChIKeyYEXMICFPALTRHK-UHFFFAOYSA-N
XLogP1.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-1,3-thiazole-2-carboxylic acid
CID 21877349
5-Ethyl-1,3-thiazole-2-carbaldehyde
CID 45083407
Ethyl 5-(bromomethyl)thiazole-2-carboxylate
CID 49757954
Ethyl 5-(chloromethyl)-1,3-thiazole-2-carboxylate
CID 65577036
Methyl 5-(bromomethyl)-1,3-thiazole-2-carboxylate
CID 91756886
Ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetate
CID 53520820
Lithium(1+) ion 5-(propan-2-yl)-1,3-thiazole-2-carboxylate
CID 73554514
Lithium(1+) ion 5-ethyl-1,3-thiazole-2-carboxylate
CID 75480690
Ethyl (2-propyl-1,3-thiazol-5-yl)acetate
CID 54320013
Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate
CID 68586933
Ethyl 5-(difluoromethyl)thiazole-2-carboxylate
CID 132091542
Methyl 5-(difluoromethyl)-1,3-thiazole-2-carboxylate
CID 168885392

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 5-ethyl-1,3-thiazole-2-carboxylate (CID 20775037) is ethyl 5-ethyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-ethyl-1,3-thiazole-2-carboxylate is CCOC(=O)c1ncc(CC)s1.
What is the InChIKey of ethyl 5-ethyl-1,3-thiazole-2-carboxylate?
The InChIKey is YEXMICFPALTRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-6-5-9-7(12-6)8(10)11-4-2/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethyl-1,3-thiazole-2-carboxylate?
ethyl 5-ethyl-1,3-thiazole-2-carboxylate has a molecular weight of 185.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 20775037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).