methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate

C9H12N2O2S2 — CID 80571882

IUPACmethyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCSCC2)s1
InChIInChI=1S/C9H12N2O2S2/c1-13-8(12)7-6-10-9(15-7)11-2-4-14-5-3-11/h6H,2-5H2,1H3
InChIKeyZHOJZLFVHBQDRA-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.48
Rot. Bonds2

About methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate

methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate (PubChem CID 80571882) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate
PubChem CID80571882
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Namemethyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCSCC2)s1
InChIInChI=1S/C9H12N2O2S2/c1-13-8(12)7-6-10-9(15-7)11-2-4-14-5-3-11/h6H,2-5H2,1H3
InChIKeyZHOJZLFVHBQDRA-UHFFFAOYSA-N
XLogP1.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate (CID 80571882) is methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCSCC2)s1.
What is the InChIKey of methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate?
The InChIKey is ZHOJZLFVHBQDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-13-8(12)7-6-10-9(15-7)11-2-4-14-5-3-11/h6H,2-5H2,1H3.
What are the key properties of methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate?
methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate has a molecular weight of 244.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).