1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C11H16N2O2S2 — CID 42891029

IUPAC1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCc1csc(SCC(=O)N2CCOC(C)C2)n1
InChIInChI=1S/C11H16N2O2S2/c1-8-6-16-11(12-8)17-7-10(14)13-3-4-15-9(2)5-13/h6,9H,3-5,7H2,1-2H3
InChIKeyPLPLZYQHAVBWJQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.79
Rot. Bonds3

About 1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 42891029) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID42891029
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCc1csc(SCC(=O)N2CCOC(C)C2)n1
InChIInChI=1S/C11H16N2O2S2/c1-8-6-16-11(12-8)17-7-10(14)13-3-4-15-9(2)5-13/h6,9H,3-5,7H2,1-2H3
InChIKeyPLPLZYQHAVBWJQ-UHFFFAOYSA-N
XLogP1.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 42891029) is 1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is Cc1csc(SCC(=O)N2CCOC(C)C2)n1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is PLPLZYQHAVBWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-8-6-16-11(12-8)17-7-10(14)13-3-4-15-9(2)5-13/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 272.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 42891029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).