1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

C17H20N2O2S — CID 110304615

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCC1(C)COCCN1C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H20N2O2S/c1-17(2)12-21-9-8-19(17)15(20)10-14-11-22-16(18-14)13-6-4-3-5-7-13/h3-7,11H,8-10,12H2,1-2H3
InChIKeyQRWVWLAVEWHFDD-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.99
Rot. Bonds3

About 1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone (PubChem CID 110304615) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
PubChem CID110304615
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCC1(C)COCCN1C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H20N2O2S/c1-17(2)12-21-9-8-19(17)15(20)10-14-11-22-16(18-14)13-6-4-3-5-7-13/h3-7,11H,8-10,12H2,1-2H3
InChIKeyQRWVWLAVEWHFDD-UHFFFAOYSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethylmorpholin-4-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 110313080
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 163308760
(3R)-3-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 99815343
(3,3-dimethylmorpholin-4-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 48521794
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 131934429
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110617904
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430840
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone (CID 110304615) is 1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone is CC1(C)COCCN1C(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is QRWVWLAVEWHFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-17(2)12-21-9-8-19(17)15(20)10-14-11-22-16(18-14)13-6-4-3-5-7-13/h3-7,11H,8-10,12H2,1-2H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 316.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 110304615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).