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

C8H11NO2S — CID 15093941

IUPACethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1C
InChIInChI=1S/C8H11NO2S/c1-4-11-8(10)7-5(2)12-6(3)9-7/h4H2,1-3H3
InChIKeyZZROUBISNMOASW-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.94
Rot. Bonds2

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

ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate (PubChem CID 15093941) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
PubChem CID15093941
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Nameethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1C
InChIInChI=1S/C8H11NO2S/c1-4-11-8(10)7-5(2)12-6(3)9-7/h4H2,1-3H3
InChIKeyZZROUBISNMOASW-UHFFFAOYSA-N
XLogP1.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate (CID 15093941) is ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C)sc1C.
What is the InChIKey of ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate?
The InChIKey is ZZROUBISNMOASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-4-11-8(10)7-5(2)12-6(3)9-7/h4H2,1-3H3.
What are the key properties of ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate?
ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate has a molecular weight of 185.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 15093941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).