dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate

C11H16N2O5S — CID 24747406

IUPACdimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
SMILESCOC(=O)C1NC(=O)N2C(C(=O)OC)C(C)(C)S[C@H]12
InChIInChI=1S/C11H16N2O5S/c1-11(2)6(9(15)18-4)13-7(19-11)5(8(14)17-3)12-10(13)16/h5-7H,1-4H3,(H,12,16)/t5?,6?,7-/m1/s1
InChIKeyUVGDYAIYANJGJQ-KPGICGJXSA-N
MW288.33 g/mol
LogP-0.05
Rot. Bonds2

About dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate

dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate (PubChem CID 24747406) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
PubChem CID24747406
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Namedimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
SMILESCOC(=O)C1NC(=O)N2C(C(=O)OC)C(C)(C)S[C@H]12
InChIInChI=1S/C11H16N2O5S/c1-11(2)6(9(15)18-4)13-7(19-11)5(8(14)17-3)12-10(13)16/h5-7H,1-4H3,(H,12,16)/t5?,6?,7-/m1/s1
InChIKeyUVGDYAIYANJGJQ-KPGICGJXSA-N
XLogP-0.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate?
The IUPAC name of dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate (CID 24747406) is dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate.
What is the SMILES notation for dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate?
The canonical SMILES for dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate is COC(=O)C1NC(=O)N2C(C(=O)OC)C(C)(C)S[C@H]12.
What is the InChIKey of dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate?
The InChIKey is UVGDYAIYANJGJQ-KPGICGJXSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-11(2)6(9(15)18-4)13-7(19-11)5(8(14)17-3)12-10(13)16/h5-7H,1-4H3,(H,12,16)/t5?,6?,7-/m1/s1.
What are the key properties of dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate?
dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate has a molecular weight of 288.33 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate is sourced from PubChem (CID 24747406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).