dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

C15H15NO4S2 — CID 5294177

IUPACdimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)[C@@H](c1cccs1)SC2
InChIInChI=1S/C15H15NO4S2/c1-8-11(14(17)19-2)12(15(18)20-3)9-7-22-13(16(8)9)10-5-4-6-21-10/h4-6,13H,7H2,1-3H3/t13-/m1/s1
InChIKeyAQKBKDLLKWMMLB-CYBMUJFWSA-N
MW337.42 g/mol
LogP3.22
Rot. Bonds3

About dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate

dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (PubChem CID 5294177) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
PubChem CID5294177
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Namedimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2n(c1C)[C@@H](c1cccs1)SC2
InChIInChI=1S/C15H15NO4S2/c1-8-11(14(17)19-2)12(15(18)20-3)9-7-22-13(16(8)9)10-5-4-6-21-10/h4-6,13H,7H2,1-3H3/t13-/m1/s1
InChIKeyAQKBKDLLKWMMLB-CYBMUJFWSA-N
XLogP3.22
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The IUPAC name of dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate (CID 5294177) is dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is COC(=O)c1c(C(=O)OC)c2n(c1C)[C@@H](c1cccs1)SC2.
What is the InChIKey of dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
The InChIKey is AQKBKDLLKWMMLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-8-11(14(17)19-2)12(15(18)20-3)9-7-22-13(16(8)9)10-5-4-6-21-10/h4-6,13H,7H2,1-3H3/t13-/m1/s1.
What are the key properties of dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate?
dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R)-5-methyl-3-thiophen-2-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate is sourced from PubChem (CID 5294177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).