diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate

C10H13NO4S — CID 2769386

IUPACdiethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1nc(C)sc1C(=O)OCC
InChIInChI=1S/C10H13NO4S/c1-4-14-9(12)7-8(10(13)15-5-2)16-6(3)11-7/h4-5H2,1-3H3
InChIKeyAYIRUTZHPSMMAW-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.80
Rot. Bonds4

About diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate

diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate (PubChem CID 2769386) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate
PubChem CID2769386
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namediethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1nc(C)sc1C(=O)OCC
InChIInChI=1S/C10H13NO4S/c1-4-14-9(12)7-8(10(13)15-5-2)16-6(3)11-7/h4-5H2,1-3H3
InChIKeyAYIRUTZHPSMMAW-UHFFFAOYSA-N
XLogP1.80
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate?
The IUPAC name of diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate (CID 2769386) is diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate is CCOC(=O)c1nc(C)sc1C(=O)OCC.
What is the InChIKey of diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate?
The InChIKey is AYIRUTZHPSMMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-4-14-9(12)7-8(10(13)15-5-2)16-6(3)11-7/h4-5H2,1-3H3.
What are the key properties of diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate?
diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate has a molecular weight of 243.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate is sourced from PubChem (CID 2769386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).