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

C7H11NO2S — CID 69174231

IUPACethyl 2-methyl-2H-1,3-thiazole-3-carboxylate
SMILESCCOC(=O)N1C=CSC1C
InChIInChI=1S/C7H11NO2S/c1-3-10-7(9)8-4-5-11-6(8)2/h4-6H,3H2,1-2H3
InChIKeyDFDHPYCXHKZDCG-UHFFFAOYSA-N
MW173.24 g/mol
LogP2.01
Rot. Bonds1

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

ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate (PubChem CID 69174231) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-2H-1,3-thiazole-3-carboxylate
PubChem CID69174231
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Nameethyl 2-methyl-2H-1,3-thiazole-3-carboxylate
SMILESCCOC(=O)N1C=CSC1C
InChIInChI=1S/C7H11NO2S/c1-3-10-7(9)8-4-5-11-6(8)2/h4-6H,3H2,1-2H3
InChIKeyDFDHPYCXHKZDCG-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate (CID 69174231) is ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate is CCOC(=O)N1C=CSC1C.
What is the InChIKey of ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate?
The InChIKey is DFDHPYCXHKZDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-3-10-7(9)8-4-5-11-6(8)2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate?
ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate has a molecular weight of 173.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate is sourced from PubChem (CID 69174231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).