1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone

C14H19N3OS — CID 66421640

IUPAC1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCc2ncccc2C1
InChIInChI=1S/C14H19N3OS/c18-14(8-12-10-19-7-5-15-12)17-6-3-13-11(9-17)2-1-4-16-13/h1-2,4,12,15H,3,5-10H2
InChIKeyCWWCMNRACFARRK-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.06
Rot. Bonds2

About 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 66421640) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone
PubChem CID66421640
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCc2ncccc2C1
InChIInChI=1S/C14H19N3OS/c18-14(8-12-10-19-7-5-15-12)17-6-3-13-11(9-17)2-1-4-16-13/h1-2,4,12,15H,3,5-10H2
InChIKeyCWWCMNRACFARRK-UHFFFAOYSA-N
XLogP1.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934886
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-ylethanone
CID 54910538
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1,3-thiazolidin-4-yl)methanone
CID 60862417
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941881
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937115
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72884084
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-yloxyethanone
CID 63877593
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone
CID 60862419
2-(1-aminocyclohexyl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 64683261

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone (CID 66421640) is 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)N1CCc2ncccc2C1.
What is the InChIKey of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is CWWCMNRACFARRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-14(8-12-10-19-7-5-15-12)17-6-3-13-11(9-17)2-1-4-16-13/h1-2,4,12,15H,3,5-10H2.
What are the key properties of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone?
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 277.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 66421640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).