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

C5H4NO2S- — CID 28875566

IUPAC5-methyl-1,3-thiazole-2-carboxylate
SMILESCc1cnc(C(=O)[O-])s1
InChIInChI=1S/C5H5NO2S/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)/p-1
InChIKeyUYDGNRLMYZMDOG-UHFFFAOYSA-M
MW142.16 g/mol
LogP-0.18
Rot. Bonds1

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

5-methyl-1,3-thiazole-2-carboxylate (PubChem CID 28875566) has the molecular formula C5H4NO2S- and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-methyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Name5-methyl-1,3-thiazole-2-carboxylate
PubChem CID28875566
Molecular FormulaC5H4NO2S-
Molecular Weight142.16 g/mol
Exact Mass142.00
IUPAC Name5-methyl-1,3-thiazole-2-carboxylate
SMILESCc1cnc(C(=O)[O-])s1
InChIInChI=1S/C5H5NO2S/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)/p-1
InChIKeyUYDGNRLMYZMDOG-UHFFFAOYSA-M
XLogP-0.18
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-thiazole-2-carboxylate?
The IUPAC name of 5-methyl-1,3-thiazole-2-carboxylate (CID 28875566) is 5-methyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for 5-methyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for 5-methyl-1,3-thiazole-2-carboxylate is Cc1cnc(C(=O)[O-])s1.
What is the InChIKey of 5-methyl-1,3-thiazole-2-carboxylate?
The InChIKey is UYDGNRLMYZMDOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2S/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)/p-1.
What are the key properties of 5-methyl-1,3-thiazole-2-carboxylate?
5-methyl-1,3-thiazole-2-carboxylate has a molecular weight of 142.16 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 28875566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).