dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate

C11H12N2O5S — CID 10589104

IUPACdimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate
SMILESCOC(=O)c1sn(C)c2c(C(=O)OC)c(=O)n(C)c1-2
InChIInChI=1S/C11H12N2O5S/c1-12-7-6(5(9(12)14)10(15)17-3)13(2)19-8(7)11(16)18-4/h1-4H3
InChIKeyQLFDQFVXOQTBDU-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.46
Rot. Bonds2

About dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate

dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate (PubChem CID 10589104) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate
PubChem CID10589104
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Namedimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate
SMILESCOC(=O)c1sn(C)c2c(C(=O)OC)c(=O)n(C)c1-2
InChIInChI=1S/C11H12N2O5S/c1-12-7-6(5(9(12)14)10(15)17-3)13(2)19-8(7)11(16)18-4/h1-4H3
InChIKeyQLFDQFVXOQTBDU-UHFFFAOYSA-N
XLogP0.46
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate?
The IUPAC name of dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate (CID 10589104) is dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate.
What is the SMILES notation for dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate?
The canonical SMILES for dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate is COC(=O)c1sn(C)c2c(C(=O)OC)c(=O)n(C)c1-2.
What is the InChIKey of dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate?
The InChIKey is QLFDQFVXOQTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c1-12-7-6(5(9(12)14)10(15)17-3)13(2)19-8(7)11(16)18-4/h1-4H3.
What are the key properties of dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate?
dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate has a molecular weight of 284.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,4-dimethyl-5-oxopyrrolo[3,2-c][1,2]thiazole-3,6-dicarboxylate is sourced from PubChem (CID 10589104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).