1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone

C17H21N3O2S — CID 48522088

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC1(C)COCCN1C(=O)Cc1csc(Cc2ccccn2)n1
InChIInChI=1S/C17H21N3O2S/c1-17(2)12-22-8-7-20(17)16(21)10-14-11-23-15(19-14)9-13-5-3-4-6-18-13/h3-6,11H,7-10,12H2,1-2H3
InChIKeyGTJKXBVSDSUHGD-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.31
Rot. Bonds4

About 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone

1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 48522088) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID48522088
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC1(C)COCCN1C(=O)Cc1csc(Cc2ccccn2)n1
InChIInChI=1S/C17H21N3O2S/c1-17(2)12-22-8-7-20(17)16(21)10-14-11-23-15(19-14)9-13-5-3-4-6-18-13/h3-6,11H,7-10,12H2,1-2H3
InChIKeyGTJKXBVSDSUHGD-UHFFFAOYSA-N
XLogP2.31
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone (CID 48522088) is 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone is CC1(C)COCCN1C(=O)Cc1csc(Cc2ccccn2)n1.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is GTJKXBVSDSUHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-17(2)12-22-8-7-20(17)16(21)10-14-11-23-15(19-14)9-13-5-3-4-6-18-13/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 331.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 48522088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).