4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide

C17H14N2OS — CID 63883286

IUPAC4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(COc2ccc3ccccc3c2)ccn1
InChIInChI=1S/C17H14N2OS/c18-17(21)16-9-12(7-8-19-16)11-20-15-6-5-13-3-1-2-4-14(13)10-15/h1-10H,11H2,(H2,18,21)
InChIKeyPFCSNEDDPPOZKI-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.45
Rot. Bonds4

About 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide

4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide (PubChem CID 63883286) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide
PubChem CID63883286
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(COc2ccc3ccccc3c2)ccn1
InChIInChI=1S/C17H14N2OS/c18-17(21)16-9-12(7-8-19-16)11-20-15-6-5-13-3-1-2-4-14(13)10-15/h1-10H,11H2,(H2,18,21)
InChIKeyPFCSNEDDPPOZKI-UHFFFAOYSA-N
XLogP3.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide 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

4-[(4-methylsulfanylphenoxy)methyl]pyridine-2-carbothioamide
CID 63880755
2-naphthalen-2-yloxyethanethioamide
CID 7454258
4-(quinolin-5-yloxymethyl)pyridine-2-carbothioamide
CID 103044812
4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyridine-2-carbothioamide
CID 63882322
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63882074
4-[(5-fluoro-2-methylphenoxy)methyl]pyridine-2-carbothioamide
CID 102981850
4-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbothioamide
CID 63883293
4-[(2-bromo-4-fluorophenoxy)methyl]pyridine-2-carbothioamide
CID 63881141
4-[[benzyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 63882465
4-[(dimethylamino)methyl]pyridine-2-carbothioamide
CID 63882857
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide?
The IUPAC name of 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide (CID 63883286) is 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide?
The canonical SMILES for 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide is NC(=S)c1cc(COc2ccc3ccccc3c2)ccn1.
What is the InChIKey of 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide?
The InChIKey is PFCSNEDDPPOZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c18-17(21)16-9-12(7-8-19-16)11-20-15-6-5-13-3-1-2-4-14(13)10-15/h1-10H,11H2,(H2,18,21).
What are the key properties of 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide?
4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide has a molecular weight of 294.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide is sourced from PubChem (CID 63883286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).