4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one

C11H18N2O2S — CID 51114083

IUPAC4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN1CCOCC1C
InChIInChI=1S/C11H18N2O2S/c1-9-7-15-6-5-12(9)3-4-13-10(2)8-16-11(13)14/h8-9H,3-7H2,1-2H3
InChIKeyPSXKARFRNORGAW-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.94
Rot. Bonds3

About 4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one

4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 51114083) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one
PubChem CID51114083
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN1CCOCC1C
InChIInChI=1S/C11H18N2O2S/c1-9-7-15-6-5-12(9)3-4-13-10(2)8-16-11(13)14/h8-9H,3-7H2,1-2H3
InChIKeyPSXKARFRNORGAW-UHFFFAOYSA-N
XLogP0.94
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-one
CID 45797041
3-[2-(2,6-Dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-2-one
CID 45797000
4-Methyl-3-[2-(2-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one
CID 45801728
3-[2-(2,5-Dimethylmorpholin-4-yl)ethyl]-4-methyl-1,3-thiazol-2-one
CID 45811262
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one
CID 51981064
3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one
CID 51981065
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one
CID 51981066
4-methyl-3-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1,3-thiazol-2-one
CID 52208766
4-methyl-3-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]-1,3-thiazol-2-one
CID 52208767
3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one
CID 52209997
3-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one
CID 52209998
4-methyl-3-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1,3-thiazol-2-one
CID 52285868

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one (CID 51114083) is 4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CCN1CCOCC1C.
What is the InChIKey of 4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is PSXKARFRNORGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9-7-15-6-5-12(9)3-4-13-10(2)8-16-11(13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 242.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 51114083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).