1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol

C17H15N3O2S — CID 172929941

IUPAC1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESC=S(=O)(N/N=C/c1c(O)ccc2ccccc12)c1ccccn1
InChIInChI=1S/C17H15N3O2S/c1-23(22,17-8-4-5-11-18-17)20-19-12-15-14-7-3-2-6-13(14)9-10-16(15)21/h2-12,21H,1H2,(H,20,22)/b19-12+
InChIKeyLAWXBUYYEYQWEO-XDHOZWIPSA-N
MW325.39 g/mol
LogP2.55
Rot. Bonds4

About 1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 172929941) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID172929941
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESC=S(=O)(N/N=C/c1c(O)ccc2ccccc12)c1ccccn1
InChIInChI=1S/C17H15N3O2S/c1-23(22,17-8-4-5-11-18-17)20-19-12-15-14-7-3-2-6-13(14)9-10-16(15)21/h2-12,21H,1H2,(H,20,22)/b19-12+
InChIKeyLAWXBUYYEYQWEO-XDHOZWIPSA-N
XLogP2.55
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol (CID 172929941) is 1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol is C=S(=O)(N/N=C/c1c(O)ccc2ccccc12)c1ccccn1.
What is the InChIKey of 1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is LAWXBUYYEYQWEO-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-23(22,17-8-4-5-11-18-17)20-19-12-15-14-7-3-2-6-13(14)9-10-16(15)21/h2-12,21H,1H2,(H,20,22)/b19-12+.
What are the key properties of 1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 325.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(methylidene-oxo-pyridin-2-yl-λ6-sulfanyl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 172929941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).