1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione

C15H11Cl2N3S — CID 139622393

IUPAC1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione
SMILESS=c1ccc2cccnc2n1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2N3S/c16-12-4-1-5-13(17)11(12)9-19-20-14(21)7-6-10-3-2-8-18-15(10)20/h1-8,19H,9H2
InChIKeyRKSMRUZRXRTGPE-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.82
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione

1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione (PubChem CID 139622393) has the molecular formula C15H11Cl2N3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione
PubChem CID139622393
Molecular FormulaC15H11Cl2N3S
Molecular Weight336.25 g/mol
Exact Mass335.01
IUPAC Name1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione
SMILESS=c1ccc2cccnc2n1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2N3S/c16-12-4-1-5-13(17)11(12)9-19-20-14(21)7-6-10-3-2-8-18-15(10)20/h1-8,19H,9H2
InChIKeyRKSMRUZRXRTGPE-UHFFFAOYSA-N
XLogP4.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-(2-sulfanylidene-1,8-naphthyridin-1-yl)benzamide
CID 139622774
1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione
CID 139622317
1-(cyclohexylamino)-1,8-naphthyridine-2-thione
CID 139622396
N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
CID 139622345
1-(dimethylamino)-1,8-naphthyridine-2-thione
CID 139622625
1-(hydroxymethylamino)-1,8-naphthyridin-2-one
CID 139622666
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
1-(3-methylbutylamino)-1,8-naphthyridin-2-one
CID 139622712
3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
N-ethylpyrrolo[2,3-b]pyridin-1-amine
CID 10419482
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
CID 139622430
1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622295

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione?
The IUPAC name of 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione (CID 139622393) is 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione is S=c1ccc2cccnc2n1NCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione?
The InChIKey is RKSMRUZRXRTGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3S/c16-12-4-1-5-13(17)11(12)9-19-20-14(21)7-6-10-3-2-8-18-15(10)20/h1-8,19H,9H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione?
1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione has a molecular weight of 336.25 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione is sourced from PubChem (CID 139622393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).