prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate

C8H9NO2S — CID 142704119

IUPACprop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1scnc1C
InChIInChI=1S/C8H9NO2S/c1-3-4-11-8(10)7-6(2)9-5-12-7/h3,5H,1,4H2,2H3
InChIKeyHOIMKYXRNDJWMA-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.79
Rot. Bonds3

About prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate

prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 142704119) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate
PubChem CID142704119
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Nameprop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1scnc1C
InChIInChI=1S/C8H9NO2S/c1-3-4-11-8(10)7-6(2)9-5-12-7/h3,5H,1,4H2,2H3
InChIKeyHOIMKYXRNDJWMA-UHFFFAOYSA-N
XLogP1.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate (CID 142704119) is prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1scnc1C.
What is the InChIKey of prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is HOIMKYXRNDJWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-3-4-11-8(10)7-6(2)9-5-12-7/h3,5H,1,4H2,2H3.
What are the key properties of prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate?
prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 183.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 142704119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).