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

C6H7NO2S — CID 131187381

IUPACmethyl 5-methyl-1,2-thiazole-3-carboxylate
SMILESCOC(=O)c1cc(C)sn1
InChIInChI=1S/C6H7NO2S/c1-4-3-5(7-10-4)6(8)9-2/h3H,1-2H3
InChIKeyTUBKRFMKRBVTSF-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.24
Rot. Bonds1

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

methyl 5-methyl-1,2-thiazole-3-carboxylate (PubChem CID 131187381) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is methyl 5-methyl-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1,2-thiazole-3-carboxylate
PubChem CID131187381
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Namemethyl 5-methyl-1,2-thiazole-3-carboxylate
SMILESCOC(=O)c1cc(C)sn1
InChIInChI=1S/C6H7NO2S/c1-4-3-5(7-10-4)6(8)9-2/h3H,1-2H3
InChIKeyTUBKRFMKRBVTSF-UHFFFAOYSA-N
XLogP1.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1,2-thiazole-3-carboxylate?
The IUPAC name of methyl 5-methyl-1,2-thiazole-3-carboxylate (CID 131187381) is methyl 5-methyl-1,2-thiazole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1,2-thiazole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1,2-thiazole-3-carboxylate is COC(=O)c1cc(C)sn1.
What is the InChIKey of methyl 5-methyl-1,2-thiazole-3-carboxylate?
The InChIKey is TUBKRFMKRBVTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4-3-5(7-10-4)6(8)9-2/h3H,1-2H3.
What are the key properties of methyl 5-methyl-1,2-thiazole-3-carboxylate?
methyl 5-methyl-1,2-thiazole-3-carboxylate has a molecular weight of 157.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 131187381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).