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

C14H17N3S — CID 139622396

IUPAC1-(cyclohexylamino)-1,8-naphthyridine-2-thione
SMILESS=c1ccc2cccnc2n1NC1CCCCC1
InChIInChI=1S/C14H17N3S/c18-13-9-8-11-5-4-10-15-14(11)17(13)16-12-6-2-1-3-7-12/h4-5,8-10,12,16H,1-3,6-7H2
InChIKeyQGFNKDYRLKXPAM-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.64
Rot. Bonds2

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

1-(cyclohexylamino)-1,8-naphthyridine-2-thione (PubChem CID 139622396) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-(cyclohexylamino)-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name1-(cyclohexylamino)-1,8-naphthyridine-2-thione
PubChem CID139622396
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-(cyclohexylamino)-1,8-naphthyridine-2-thione
SMILESS=c1ccc2cccnc2n1NC1CCCCC1
InChIInChI=1S/C14H17N3S/c18-13-9-8-11-5-4-10-15-14(11)17(13)16-12-6-2-1-3-7-12/h4-5,8-10,12,16H,1-3,6-7H2
InChIKeyQGFNKDYRLKXPAM-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
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
2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide
CID 139622774
2-chloro-3-cyclopentylimidazo[4,5-b]pyridine
CID 102139378
1-(hydroxymethylamino)-1,8-naphthyridin-2-one
CID 139622666
3-N-cyclohexylpyridine-2,3-diamine
CID 59587824
N-(1-cyclopentylethyl)quinolin-8-amine
CID 62631531
3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289426
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
7-[1-(cyclohexylmethyl)indol-2-yl]quinoline
CID 175958700
N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide
CID 175644954

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-1,8-naphthyridine-2-thione?
The IUPAC name of 1-(cyclohexylamino)-1,8-naphthyridine-2-thione (CID 139622396) is 1-(cyclohexylamino)-1,8-naphthyridine-2-thione.
What is the SMILES notation for 1-(cyclohexylamino)-1,8-naphthyridine-2-thione?
The canonical SMILES for 1-(cyclohexylamino)-1,8-naphthyridine-2-thione is S=c1ccc2cccnc2n1NC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)-1,8-naphthyridine-2-thione?
The InChIKey is QGFNKDYRLKXPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c18-13-9-8-11-5-4-10-15-14(11)17(13)16-12-6-2-1-3-7-12/h4-5,8-10,12,16H,1-3,6-7H2.
What are the key properties of 1-(cyclohexylamino)-1,8-naphthyridine-2-thione?
1-(cyclohexylamino)-1,8-naphthyridine-2-thione has a molecular weight of 259.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-1,8-naphthyridine-2-thione is sourced from PubChem (CID 139622396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).