methyl 1,2-thiazole-4-carboxylate

C5H5NO2S — CID 69051281

IUPACmethyl 1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1cnsc1
InChIInChI=1S/C5H5NO2S/c1-8-5(7)4-2-6-9-3-4/h2-3H,1H3
InChIKeyYELIYGBMHIGZIN-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.93
Rot. Bonds1

About methyl 1,2-thiazole-4-carboxylate

methyl 1,2-thiazole-4-carboxylate (PubChem CID 69051281) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is methyl 1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-thiazole-4-carboxylate
PubChem CID69051281
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Namemethyl 1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1cnsc1
InChIInChI=1S/C5H5NO2S/c1-8-5(7)4-2-6-9-3-4/h2-3H,1H3
InChIKeyYELIYGBMHIGZIN-UHFFFAOYSA-N
XLogP0.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 1,2-thiazole-4-carboxylate (CID 69051281) is methyl 1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 1,2-thiazole-4-carboxylate is COC(=O)c1cnsc1.
What is the InChIKey of methyl 1,2-thiazole-4-carboxylate?
The InChIKey is YELIYGBMHIGZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c1-8-5(7)4-2-6-9-3-4/h2-3H,1H3.
What are the key properties of methyl 1,2-thiazole-4-carboxylate?
methyl 1,2-thiazole-4-carboxylate has a molecular weight of 143.17 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-thiazole-4-carboxylate is sourced from PubChem (CID 69051281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).