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

C10H13NO4S — CID 134908109

IUPACdiethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate
SMILESCCOC(=O)c1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C10H13NO4S/c1-4-14-9(12)7-6(3)11-8(16-7)10(13)15-5-2/h4-5H2,1-3H3
InChIKeyIRTYITRIHSOPJQ-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.80
Rot. Bonds4

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

diethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate (PubChem CID 134908109) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is diethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate
PubChem CID134908109
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namediethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate
SMILESCCOC(=O)c1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C10H13NO4S/c1-4-14-9(12)7-6(3)11-8(16-7)10(13)15-5-2/h4-5H2,1-3H3
InChIKeyIRTYITRIHSOPJQ-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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Related Compounds

Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
CID 2824057
Diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 226556
Ethyl 2,4-dimethylthiazole-5-carboxylate
CID 603810
Diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate
CID 2769386
Ethyl 2-[(2-ethoxy-2-oxoethyl)thio]-4-methyl-1,3-thiazole-5-carboxylate
CID 2148129
Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
CID 594903
2-(Methoxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20088075
Methyl 2-bromo-5-methyl-1,3-thiazole-4-carboxylate
CID 22493969
2-(Ethoxycarbonyl)-4-methylthiazole-5-carboxylic acid
CID 57571640
Methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 58018049
Methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 99609563
Ethyl 2-bromo-4-formylthiazole-5-carboxylate
CID 155576720

Frequently Asked Questions

What is the IUPAC name of diethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate?
The IUPAC name of diethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate (CID 134908109) is diethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate.
What is the SMILES notation for diethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate?
The canonical SMILES for diethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate is CCOC(=O)c1nc(C)c(C(=O)OCC)s1.
What is the InChIKey of diethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate?
The InChIKey is IRTYITRIHSOPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-4-14-9(12)7-6(3)11-8(16-7)10(13)15-5-2/h4-5H2,1-3H3.
What are the key properties of diethyl 4-methyl-1,3-thiazole-2,5-dicarboxylate?
diethyl 4-methyl-1,3-thiazole-2,5-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 4-methyl-1,3-thiazole-2,5-dicarboxylate is sourced from PubChem (CID 134908109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).