methyl 5-ethenyl-1,3-thiazole-4-carboxylate

C7H7NO2S — CID 91753411

IUPACmethyl 5-ethenyl-1,3-thiazole-4-carboxylate
SMILESC=Cc1scnc1C(=O)OC
InChIInChI=1S/C7H7NO2S/c1-3-5-6(7(9)10-2)8-4-11-5/h3-4H,1H2,2H3
InChIKeyYJHGYYBTCCJNSH-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.57
Rot. Bonds2

About methyl 5-ethenyl-1,3-thiazole-4-carboxylate

methyl 5-ethenyl-1,3-thiazole-4-carboxylate (PubChem CID 91753411) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is methyl 5-ethenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethenyl-1,3-thiazole-4-carboxylate
PubChem CID91753411
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Namemethyl 5-ethenyl-1,3-thiazole-4-carboxylate
SMILESC=Cc1scnc1C(=O)OC
InChIInChI=1S/C7H7NO2S/c1-3-5-6(7(9)10-2)8-4-11-5/h3-4H,1H2,2H3
InChIKeyYJHGYYBTCCJNSH-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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-ethenyl-1,3-thiazole-4-carboxylate (CID 91753411) is methyl 5-ethenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-ethenyl-1,3-thiazole-4-carboxylate is C=Cc1scnc1C(=O)OC.
What is the InChIKey of methyl 5-ethenyl-1,3-thiazole-4-carboxylate?
The InChIKey is YJHGYYBTCCJNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-3-5-6(7(9)10-2)8-4-11-5/h3-4H,1H2,2H3.
What are the key properties of methyl 5-ethenyl-1,3-thiazole-4-carboxylate?
methyl 5-ethenyl-1,3-thiazole-4-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 5-ethenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 91753411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).