1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone

C16H19N3O2S — CID 52985512

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2csc(-c3cccnc3)n2)CC(C)O1
InChIInChI=1S/C16H19N3O2S/c1-11-8-19(9-12(2)21-11)15(20)6-14-10-22-16(18-14)13-4-3-5-17-7-13/h3-5,7,10-12H,6,8-9H2,1-2H3
InChIKeyRCSYPTCFSOBTKW-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.38
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 52985512) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
PubChem CID52985512
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2csc(-c3cccnc3)n2)CC(C)O1
InChIInChI=1S/C16H19N3O2S/c1-11-8-19(9-12(2)21-11)15(20)6-14-10-22-16(18-14)13-4-3-5-17-7-13/h3-5,7,10-12H,6,8-9H2,1-2H3
InChIKeyRCSYPTCFSOBTKW-UHFFFAOYSA-N
XLogP2.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone with MolForge

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Related Compounds

9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihydro-5H-2,7a-diaza-dibenzo[a,c]cyclohepten-8-one
CID 10221761
(1-methylpiperidin-3-yl) 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
CID 10094686
2-Isopropyl-6-oxo-5-(2-pyridin-4-yl-thiazol-4-yl)-1,6-dihydro-pyridine-3-carboxylic acid 2-diethylamino-ethyl ester
CID 10433386
2-Isopropyl-6-oxo-5-(2-pyridin-4-yl-thiazol-4-yl)-1,6-dihydro-pyridine-3-carboxylic acid 2-diethylamino-1-methyl-ethyl ester
CID 10456652
2-Isopropyl-6-oxo-5-(2-pyridin-4-yl-thiazol-4-yl)-1,6-dihydro-pyridine-3-carboxylic acid 1-methyl-piperidin-4-yl ester
CID 45483862
1-Methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-dipyridin-4-ylpyridin-2-one
CID 10970438
2-Methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 18144733
13-(4-Methyl-1,3-thiazol-2-yl)-15-pyridin-3-yl-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44290878
N-(4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44449427
1-acetyl-N-{2-[2-(4-pyridinyl)-1,3-thiazol-4-yl]ethyl}-3-piperidinecarboxamide
CID 72898030
Morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
(3S)-1-[2-(2-fluoroethoxy)acetyl]-N-[[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
CID 171902164

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone (CID 52985512) is 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone is CC1CN(C(=O)Cc2csc(-c3cccnc3)n2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is RCSYPTCFSOBTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-8-19(9-12(2)21-11)15(20)6-14-10-22-16(18-14)13-4-3-5-17-7-13/h3-5,7,10-12H,6,8-9H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 317.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 52985512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).