dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

C13H17NO6S — CID 15470570

IUPACdimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)CS(=O)(=O)C2(C)C
InChIInChI=1S/C13H17NO6S/c1-7-8(11(15)19-4)9(12(16)20-5)10-13(2,3)21(17,18)6-14(7)10/h6H2,1-5H3
InChIKeyICOMZZNLPNBUQS-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.99
Rot. Bonds2

About dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (PubChem CID 15470570) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
PubChem CID15470570
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Namedimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)CS(=O)(=O)C2(C)C
InChIInChI=1S/C13H17NO6S/c1-7-8(11(15)19-4)9(12(16)20-5)10-13(2,3)21(17,18)6-14(7)10/h6H2,1-5H3
InChIKeyICOMZZNLPNBUQS-UHFFFAOYSA-N
XLogP0.99
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (CID 15470570) is dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is COC(=O)c1c(C(=O)OC)c2n(c1C)CS(=O)(=O)C2(C)C.
What is the InChIKey of dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The InChIKey is ICOMZZNLPNBUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-7-8(11(15)19-4)9(12(16)20-5)10-13(2,3)21(17,18)6-14(7)10/h6H2,1-5H3.
What are the key properties of dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate has a molecular weight of 315.35 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,1,5-trimethyl-2,2-dioxo-3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is sourced from PubChem (CID 15470570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).