methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate

C11H16N2O2S2 — CID 80571506

IUPACmethyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CC(C)SC(C)C2)s1
InChIInChI=1S/C11H16N2O2S2/c1-7-5-13(6-8(2)16-7)11-12-4-9(17-11)10(14)15-3/h4,7-8H,5-6H2,1-3H3
InChIKeyRJZUKOLTVDEETK-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.26
Rot. Bonds2

About methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate

methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80571506) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID80571506
Molecular FormulaC11H16N2O2S2
Molecular Weight272.40 g/mol
Exact Mass272.07
IUPAC Namemethyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CC(C)SC(C)C2)s1
InChIInChI=1S/C11H16N2O2S2/c1-7-5-13(6-8(2)16-7)11-12-4-9(17-11)10(14)15-3/h4,7-8H,5-6H2,1-3H3
InChIKeyRJZUKOLTVDEETK-UHFFFAOYSA-N
XLogP2.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate (CID 80571506) is methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CC(C)SC(C)C2)s1.
What is the InChIKey of methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is RJZUKOLTVDEETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-7-5-13(6-8(2)16-7)11-12-4-9(17-11)10(14)15-3/h4,7-8H,5-6H2,1-3H3.
What are the key properties of methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 272.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).