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

C11H16N2O2S2 — CID 103595057

IUPACmethyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C2CSCCN2C)nc1C
InChIInChI=1S/C11H16N2O2S2/c1-7-9(11(14)15-3)17-10(12-7)8-6-16-5-4-13(8)2/h8H,4-6H2,1-3H3
InChIKeyFCENVXUQOUCGGE-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.96
Rot. Bonds2

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

methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate (PubChem CID 103595057) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate
PubChem CID103595057
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Namemethyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C2CSCCN2C)nc1C
InChIInChI=1S/C11H16N2O2S2/c1-7-9(11(14)15-3)17-10(12-7)8-6-16-5-4-13(8)2/h8H,4-6H2,1-3H3
InChIKeyFCENVXUQOUCGGE-UHFFFAOYSA-N
XLogP1.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate (CID 103595057) is methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(C2CSCCN2C)nc1C.
What is the InChIKey of methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is FCENVXUQOUCGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-7-9(11(14)15-3)17-10(12-7)8-6-16-5-4-13(8)2/h8H,4-6H2,1-3H3.
What are the key properties of methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 103595057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).