2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone

C11H17N2O2S+ — CID 173154626

IUPAC2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone
SMILESCc1[nH+]c(CC(=O)N2CCOCC2)sc1C
InChIInChI=1S/C11H16N2O2S/c1-8-9(2)16-10(12-8)7-11(14)13-3-5-15-6-4-13/h3-7H2,1-2H3/p+1
InChIKeyNWCOGDHZAWJKIS-UHFFFAOYSA-O
MW241.34 g/mol
LogP0.58
Rot. Bonds2

About 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone

2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone (PubChem CID 173154626) has the molecular formula C11H17N2O2S+ and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone
PubChem CID173154626
Molecular FormulaC11H17N2O2S+
Molecular Weight241.34 g/mol
Exact Mass241.10
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone
SMILESCc1[nH+]c(CC(=O)N2CCOCC2)sc1C
InChIInChI=1S/C11H16N2O2S/c1-8-9(2)16-10(12-8)7-11(14)13-3-5-15-6-4-13/h3-7H2,1-2H3/p+1
InChIKeyNWCOGDHZAWJKIS-UHFFFAOYSA-O
XLogP0.58
TPSA43.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone (CID 173154626) is 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone is Cc1[nH+]c(CC(=O)N2CCOCC2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone?
The InChIKey is NWCOGDHZAWJKIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N2O2S/c1-8-9(2)16-10(12-8)7-11(14)13-3-5-15-6-4-13/h3-7H2,1-2H3/p+1.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone?
2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone has a molecular weight of 241.34 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 173154626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).