dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

C16H15NO6S — CID 1488426

IUPACdimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CS(=O)(=O)C2
InChIInChI=1S/C16H15NO6S/c1-22-15(18)12-11-8-24(20,21)9-17(11)14(13(12)16(19)23-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyFIPRWYMHNVEFJB-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.61
Rot. Bonds3

About dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (PubChem CID 1488426) has the molecular formula C16H15NO6S and a molecular weight of 349.36 g/mol. Its IUPAC name is dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
PubChem CID1488426
Molecular FormulaC16H15NO6S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC Namedimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CS(=O)(=O)C2
InChIInChI=1S/C16H15NO6S/c1-22-15(18)12-11-8-24(20,21)9-17(11)14(13(12)16(19)23-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyFIPRWYMHNVEFJB-UHFFFAOYSA-N
XLogP1.61
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate with MolForge

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Related Compounds

Dimethyl 5-methyl-1H-pyrrolo(1,2-C)(1,3)thiazole-6,7-dicarboxylate
CID 2821331
5-(4-methylphenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid
CID 1472063
Dimethyl 5-(4-fluorophenyl)-2-oxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1488429
dimethyl 5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 337612
Dimethyl 5-(4-methylphenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1472036
dimethyl 5-(3-fluorophenyl)-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1472043
dimethyl 5-(4-fluorophenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1488423
dimethyl 5-phenyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 1473406
5-(4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylic acid
CID 1473412
dimethyl 5-(3-chlorophenyl)-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1472037
dimethyl 5-(3-fluorophenyl)-2,2-dioxo-2,3-dihydro-1H-2lambda~6~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1472044
Dimethyl 5-(3-methylphenyl)-2-oxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1488431

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (CID 1488426) is dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is COC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CS(=O)(=O)C2.
What is the InChIKey of dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The InChIKey is FIPRWYMHNVEFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6S/c1-22-15(18)12-11-8-24(20,21)9-17(11)14(13(12)16(19)23-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate has a molecular weight of 349.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2-dioxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is sourced from PubChem (CID 1488426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).