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

C10H14N2O2S2 — CID 80571592

IUPACmethyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCSCC2C)s1
InChIInChI=1S/C10H14N2O2S2/c1-7-6-15-4-3-12(7)10-11-5-8(16-10)9(13)14-2/h5,7H,3-4,6H2,1-2H3
InChIKeyBNXCVKFLMTZLEZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.87
Rot. Bonds2

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

methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80571592) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID80571592
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Namemethyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCSCC2C)s1
InChIInChI=1S/C10H14N2O2S2/c1-7-6-15-4-3-12(7)10-11-5-8(16-10)9(13)14-2/h5,7H,3-4,6H2,1-2H3
InChIKeyBNXCVKFLMTZLEZ-UHFFFAOYSA-N
XLogP1.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate (CID 80571592) is methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCSCC2C)s1.
What is the InChIKey of methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is BNXCVKFLMTZLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-7-6-15-4-3-12(7)10-11-5-8(16-10)9(13)14-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 258.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).