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

C10H11N3S — CID 139622625

IUPAC1-(dimethylamino)-1,8-naphthyridine-2-thione
SMILESCN(C)n1c(=S)ccc2cccnc21
InChIInChI=1S/C10H11N3S/c1-12(2)13-9(14)6-5-8-4-3-7-11-10(8)13/h3-7H,1-2H3
InChIKeyMSUQNOMGYUJFIN-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.96
Rot. Bonds1

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

1-(dimethylamino)-1,8-naphthyridine-2-thione (PubChem CID 139622625) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-(dimethylamino)-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name1-(dimethylamino)-1,8-naphthyridine-2-thione
PubChem CID139622625
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name1-(dimethylamino)-1,8-naphthyridine-2-thione
SMILESCN(C)n1c(=S)ccc2cccnc21
InChIInChI=1S/C10H11N3S/c1-12(2)13-9(14)6-5-8-4-3-7-11-10(8)13/h3-7H,1-2H3
InChIKeyMSUQNOMGYUJFIN-UHFFFAOYSA-N
XLogP1.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione
CID 139622317
1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione
CID 139622393
1-(cyclohexylamino)-1,8-naphthyridine-2-thione
CID 139622396
1-methyl-1,10-phenanthroline-2-thione
CID 45118686
N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
CID 139622345
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
1-chloro-1,8-naphthyridin-2-one
CID 154368261
methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110626
2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide
CID 139622774
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648
6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
CID 58517811
N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide
CID 139622497

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1,8-naphthyridine-2-thione?
The IUPAC name of 1-(dimethylamino)-1,8-naphthyridine-2-thione (CID 139622625) is 1-(dimethylamino)-1,8-naphthyridine-2-thione.
What is the SMILES notation for 1-(dimethylamino)-1,8-naphthyridine-2-thione?
The canonical SMILES for 1-(dimethylamino)-1,8-naphthyridine-2-thione is CN(C)n1c(=S)ccc2cccnc21.
What is the InChIKey of 1-(dimethylamino)-1,8-naphthyridine-2-thione?
The InChIKey is MSUQNOMGYUJFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-12(2)13-9(14)6-5-8-4-3-7-11-10(8)13/h3-7H,1-2H3.
What are the key properties of 1-(dimethylamino)-1,8-naphthyridine-2-thione?
1-(dimethylamino)-1,8-naphthyridine-2-thione has a molecular weight of 205.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1,8-naphthyridine-2-thione is sourced from PubChem (CID 139622625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).