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

C11H13NO4S — CID 2821121

IUPACdimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)CCS2
InChIInChI=1S/C11H13NO4S/c1-6-7(10(13)15-2)8(11(14)16-3)9-12(6)4-5-17-9/h4-5H2,1-3H3
InChIKeyZPNHXRCUMKUHTP-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.48
Rot. Bonds2

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

dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate (PubChem CID 2821121) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate
PubChem CID2821121
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Namedimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)CCS2
InChIInChI=1S/C11H13NO4S/c1-6-7(10(13)15-2)8(11(14)16-3)9-12(6)4-5-17-9/h4-5H2,1-3H3
InChIKeyZPNHXRCUMKUHTP-UHFFFAOYSA-N
XLogP1.48
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dimethyl 5-methyl-1H-pyrrolo(1,2-C)(1,3)thiazole-6,7-dicarboxylate
CID 2821331
5-methyl-2H,3H-pyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid
CID 2821343
dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 2904929
1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2,5-dimethyl-, dimethyl ester
CID 461159
Methyl 5-methyl-7-(propan-2-ylcarbamoyloxymethyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6-carboxylate
CID 44307199
dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 15470570
dimethyl (3R)-5-methyl-3-phenyl-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 5294176
dimethyl 1,2,5-trimethyl-1H-pyrrole-3,4-dicarboxylate
CID 56696515
dimethyl (3R)-3,5-dimethyl-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 11301067
dimethyl (3R)-5-methyl-3-(thiophen-2-yl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 5294177
Pyrrolo[2,1-b]thiazole-6,7-dicarboxylic acid, 2,3-dihydro-5-methyl-, 6-methyl ester
CID 586447
dimethyl 5-methyl-3-(2-thienyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 4090528

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate (CID 2821121) is dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate is COC(=O)c1c(C(=O)OC)c2n(c1C)CCS2.
What is the InChIKey of dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate?
The InChIKey is ZPNHXRCUMKUHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-6-7(10(13)15-2)8(11(14)16-3)9-12(6)4-5-17-9/h4-5H2,1-3H3.
What are the key properties of dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate?
dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate has a molecular weight of 255.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate is sourced from PubChem (CID 2821121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).