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

C7H9NO2S — CID 567306

IUPACethyl 4-methyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C)cs1
InChIInChI=1S/C7H9NO2S/c1-3-10-7(9)6-8-5(2)4-11-6/h4H,3H2,1-2H3
InChIKeyYJWKNFZGGQBYGD-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.63
Rot. Bonds2

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

ethyl 4-methyl-1,3-thiazole-2-carboxylate (PubChem CID 567306) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is ethyl 4-methyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-1,3-thiazole-2-carboxylate
PubChem CID567306
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Nameethyl 4-methyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C)cs1
InChIInChI=1S/C7H9NO2S/c1-3-10-7(9)6-8-5(2)4-11-6/h4H,3H2,1-2H3
InChIKeyYJWKNFZGGQBYGD-UHFFFAOYSA-N
XLogP1.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-methyl-1,3-thiazole-4-carboxylate
CID 293353
Ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 574575
4-Thiazolecarboxylic acid, 2-propyl-, ethyl ester
CID 203631
4-Methyl-1,3-thiazole-2-carboxylic acid
CID 22499336
4-Methyl-1,3-thiazole-2-carbaldehyde
CID 4263432
2-(Ethoxycarbonyl)-1,3-thiazole-4-carboxylic acid
CID 53487863
Ethyl 2-formyl-1,3-thiazole-4-carboxylate
CID 11355896
Methyl 2-formyl-1,3-thiazole-4-carboxylate
CID 15953680
Methyl 4-methylthiazole-2-carboxylate
CID 11435075
3-(2-Ethoxy-2-oxoethyl)-2,4-dimethyl-1,3-thiazol-3-ium bromide
CID 15945030
Ethyl 2-prop-1-ynyl-1,3-thiazole-4-carboxylate
CID 142313585
Ethyl 2-(hydroxymethyl)-1,3-thiazole-4-carboxylate
CID 10655181

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-methyl-1,3-thiazole-2-carboxylate (CID 567306) is ethyl 4-methyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C)cs1.
What is the InChIKey of ethyl 4-methyl-1,3-thiazole-2-carboxylate?
The InChIKey is YJWKNFZGGQBYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-3-10-7(9)6-8-5(2)4-11-6/h4H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-1,3-thiazole-2-carboxylate?
ethyl 4-methyl-1,3-thiazole-2-carboxylate has a molecular weight of 171.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 567306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).