methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate

C7H9NO2S — CID 58018049

IUPACmethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1C
InChIInChI=1S/C7H9NO2S/c1-4-6(7(9)10-3)8-5(2)11-4/h1-3H3
InChIKeyJSMVDLBAEQWKFD-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.55
Rot. Bonds1

About methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate

methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate (PubChem CID 58018049) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
PubChem CID58018049
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namemethyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1C
InChIInChI=1S/C7H9NO2S/c1-4-6(7(9)10-3)8-5(2)11-4/h1-3H3
InChIKeyJSMVDLBAEQWKFD-UHFFFAOYSA-N
XLogP1.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate (CID 58018049) is methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1C.
What is the InChIKey of methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate?
The InChIKey is JSMVDLBAEQWKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-4-6(7(9)10-3)8-5(2)11-4/h1-3H3.
What are the key properties of methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate?
methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate has a molecular weight of 171.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 58018049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).