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

C11H16N2O2S — CID 91565611

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone
SMILESCc1nc(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
InChIKeyNWCOGDHZAWJKIS-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.16
Rot. Bonds2

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

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone (PubChem CID 91565611) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone
PubChem CID91565611
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone
SMILESCc1nc(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
InChIKeyNWCOGDHZAWJKIS-UHFFFAOYSA-N
XLogP1.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone (CID 91565611) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone is Cc1nc(CC(=O)N2CCOCC2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone?
The InChIKey is NWCOGDHZAWJKIS-UHFFFAOYSA-N. 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.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone has a molecular weight of 240.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 91565611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).