1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione

C10H11N3OS — CID 139622317

IUPAC1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione
SMILESCC(O)Nn1c(=S)ccc2cccnc21
InChIInChI=1S/C10H11N3OS/c1-7(14)12-13-9(15)5-4-8-3-2-6-11-10(8)13/h2-7,12,14H,1H3
InChIKeyXEYUORZQXSAAER-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.65
Rot. Bonds2

About 1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione

1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione (PubChem CID 139622317) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione
PubChem CID139622317
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione
SMILESCC(O)Nn1c(=S)ccc2cccnc21
InChIInChI=1S/C10H11N3OS/c1-7(14)12-13-9(15)5-4-8-3-2-6-11-10(8)13/h2-7,12,14H,1H3
InChIKeyXEYUORZQXSAAER-UHFFFAOYSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxyethylamino)-1,8-naphthyridin-2-one
CID 139622714
N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
CID 139622345
2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide
CID 139622774
1-(cyclohexylamino)-1,8-naphthyridine-2-thione
CID 139622396
1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione
CID 139622393
1-(dimethylamino)-1,8-naphthyridine-2-thione
CID 139622625
1-(3-methylbutylamino)-1,8-naphthyridin-2-one
CID 139622712
1-(hydroxymethylamino)-1,8-naphthyridin-2-one
CID 139622666
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
CID 139622430
1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622389
1-(methylamino)ethanol;quinolin-8-ol;titanium(4+);tetraiodide
CID 173115754
1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one
CID 139622650

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione?
The IUPAC name of 1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione (CID 139622317) is 1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione.
What is the SMILES notation for 1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione?
The canonical SMILES for 1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione is CC(O)Nn1c(=S)ccc2cccnc21.
What is the InChIKey of 1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione?
The InChIKey is XEYUORZQXSAAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7(14)12-13-9(15)5-4-8-3-2-6-11-10(8)13/h2-7,12,14H,1H3.
What are the key properties of 1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione?
1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione has a molecular weight of 221.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione is sourced from PubChem (CID 139622317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).