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

C11H13NO4S — CID 2821331

IUPACdimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)CSC2
InChIInChI=1S/C11H13NO4S/c1-6-8(10(13)15-2)9(11(14)16-3)7-4-17-5-12(6)7/h4-5H2,1-3H3
InChIKeySCRVMGJDGYRHEZ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.57
Rot. Bonds2

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

dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (PubChem CID 2821331) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
PubChem CID2821331
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Namedimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)CSC2
InChIInChI=1S/C11H13NO4S/c1-6-8(10(13)15-2)9(11(14)16-3)7-4-17-5-12(6)7/h4-5H2,1-3H3
InChIKeySCRVMGJDGYRHEZ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (CID 2821331) is dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is COC(=O)c1c(C(=O)OC)c2n(c1C)CSC2.
What is the InChIKey of dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The InChIKey is SCRVMGJDGYRHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-6-8(10(13)15-2)9(11(14)16-3)7-4-17-5-12(6)7/h4-5H2,1-3H3.
What are the key properties of dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate has a molecular weight of 255.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is sourced from PubChem (CID 2821331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).