dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate

C11H11NO4S — CID 14931817

IUPACdimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate
SMILESCOC(=O)c1c(C)c2sccn2c1C(=O)OC
InChIInChI=1S/C11H11NO4S/c1-6-7(10(13)15-2)8(11(14)16-3)12-4-5-17-9(6)12/h4-5H,1-3H3
InChIKeyQPAAJDDEDQTZBY-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.88
Rot. Bonds2

About dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate

dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate (PubChem CID 14931817) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate
PubChem CID14931817
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Namedimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate
SMILESCOC(=O)c1c(C)c2sccn2c1C(=O)OC
InChIInChI=1S/C11H11NO4S/c1-6-7(10(13)15-2)8(11(14)16-3)12-4-5-17-9(6)12/h4-5H,1-3H3
InChIKeyQPAAJDDEDQTZBY-UHFFFAOYSA-N
XLogP1.88
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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dimethyl 7-methyl-1-nitroindolizine-2,3-dicarboxylate
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dimethyl 4-acetyloxy-3,6-dimethylbenzene-1,2-dicarboxylate
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dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
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methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate
CID 134951874
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
methyl 4-amino-2-methylthiophene-3-carboxylate
CID 12710776
dimethyl 2,6-dimethyl-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 10717169
methyl 3,6-dimethoxy-2-methylbenzoate
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trimethyl 7-pyridin-4-ylindolizine-1,2,3-tricarboxylate
CID 71421645

Frequently Asked Questions

What is the IUPAC name of dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate?
The IUPAC name of dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate (CID 14931817) is dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate?
The canonical SMILES for dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate is COC(=O)c1c(C)c2sccn2c1C(=O)OC.
What is the InChIKey of dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate?
The InChIKey is QPAAJDDEDQTZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-6-7(10(13)15-2)8(11(14)16-3)12-4-5-17-9(6)12/h4-5H,1-3H3.
What are the key properties of dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate?
dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate has a molecular weight of 253.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate is sourced from PubChem (CID 14931817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).