methyl 2-ethenyl-1,3-thiazole-5-carboxylate

C7H7NO2S — CID 118097186

IUPACmethyl 2-ethenyl-1,3-thiazole-5-carboxylate
SMILESC=Cc1ncc(C(=O)OC)s1
InChIInChI=1S/C7H7NO2S/c1-3-6-8-4-5(11-6)7(9)10-2/h3-4H,1H2,2H3
InChIKeyQYORWSLJXJHLTH-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.57
Rot. Bonds2

About methyl 2-ethenyl-1,3-thiazole-5-carboxylate

methyl 2-ethenyl-1,3-thiazole-5-carboxylate (PubChem CID 118097186) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is methyl 2-ethenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenyl-1,3-thiazole-5-carboxylate
PubChem CID118097186
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Namemethyl 2-ethenyl-1,3-thiazole-5-carboxylate
SMILESC=Cc1ncc(C(=O)OC)s1
InChIInChI=1S/C7H7NO2S/c1-3-6-8-4-5(11-6)7(9)10-2/h3-4H,1H2,2H3
InChIKeyQYORWSLJXJHLTH-UHFFFAOYSA-N
XLogP1.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-ethenyl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Thiazolecarboxylic acid, 2-methyl-
CID 98845
Methyl 2-bromothiazole-5-carboxylate
CID 2773502
5-Thiazolecarboxylic acid, 2-ethyl-
CID 207755
Ethyl 2-bromothiazole-5-carboxylate
CID 3614103
Ethyl thiazole-5-carboxylate
CID 459108
Methyl 1,3-thiazole-5-carboxylate
CID 331117
Methyl 2-chloro-1,3-thiazole-5-carboxylate
CID 12897294
Methyl 2-acetylthiazole-5-carboxylate
CID 78358133
Ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 19017727
Ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
Ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 15171126
2-Methoxy-1,3-thiazole-5-carboxylic acid
CID 16494897

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-ethenyl-1,3-thiazole-5-carboxylate (CID 118097186) is methyl 2-ethenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-ethenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-ethenyl-1,3-thiazole-5-carboxylate is C=Cc1ncc(C(=O)OC)s1.
What is the InChIKey of methyl 2-ethenyl-1,3-thiazole-5-carboxylate?
The InChIKey is QYORWSLJXJHLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-3-6-8-4-5(11-6)7(9)10-2/h3-4H,1H2,2H3.
What are the key properties of methyl 2-ethenyl-1,3-thiazole-5-carboxylate?
methyl 2-ethenyl-1,3-thiazole-5-carboxylate has a molecular weight of 169.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 118097186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).