3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione

C11H13N3OS — CID 139622430

IUPAC3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
SMILESCCc1cc2cccnc2n(NCO)c1=S
InChIInChI=1S/C11H13N3OS/c1-2-8-6-9-4-3-5-12-10(9)14(11(8)16)13-7-15/h3-6,13,15H,2,7H2,1H3
InChIKeyOAXKNHWEDIDFKL-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.82
Rot. Bonds3

About 3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione

3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione (PubChem CID 139622430) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
PubChem CID139622430
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
SMILESCCc1cc2cccnc2n(NCO)c1=S
InChIInChI=1S/C11H13N3OS/c1-2-8-6-9-4-3-5-12-10(9)14(11(8)16)13-7-15/h3-6,13,15H,2,7H2,1H3
InChIKeyOAXKNHWEDIDFKL-UHFFFAOYSA-N
XLogP1.82
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.82
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'}

Analyze 3-ethyl-1-(hydroxymethylamino)-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

1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622295
1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622389
1-(hydroxymethylamino)-1,8-naphthyridin-2-one
CID 139622666
N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide
CID 139622497
N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)-N-propanoylpropanamide
CID 139622725
N-acetyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)acetamide
CID 139622552
N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
CID 139622345
3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one
CID 14941472
1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one
CID 139622650
N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide
CID 139622487
N-ethylpyrrolo[2,3-b]pyridin-1-amine
CID 10419482
2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide
CID 139622440

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione?
The IUPAC name of 3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione (CID 139622430) is 3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione.
What is the SMILES notation for 3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione?
The canonical SMILES for 3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione is CCc1cc2cccnc2n(NCO)c1=S.
What is the InChIKey of 3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione?
The InChIKey is OAXKNHWEDIDFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-8-6-9-4-3-5-12-10(9)14(11(8)16)13-7-15/h3-6,13,15H,2,7H2,1H3.
What are the key properties of 3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione?
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione has a molecular weight of 235.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione is sourced from PubChem (CID 139622430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).