1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one

C17H17N3OS — CID 139267153

IUPAC1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one
SMILESCC(=O)CNN=C(C)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C17H17N3OS/c1-11(21)10-18-20-12(2)13-7-8-17-15(9-13)19-14-5-3-4-6-16(14)22-17/h3-9,18-19H,10H2,1-2H3
InChIKeyFDGNTJAOBVDWLG-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.80
Rot. Bonds4

About 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one

1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one (PubChem CID 139267153) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one.

Molecular Properties

Compound Name1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one
PubChem CID139267153
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one
SMILESCC(=O)CNN=C(C)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C17H17N3OS/c1-11(21)10-18-20-12(2)13-7-8-17-15(9-13)19-14-5-3-4-6-16(14)22-17/h3-9,18-19H,10H2,1-2H3
InChIKeyFDGNTJAOBVDWLG-UHFFFAOYSA-N
XLogP3.80
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one?
The IUPAC name of 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one (CID 139267153) is 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one.
What is the SMILES notation for 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one?
The canonical SMILES for 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one is CC(=O)CNN=C(C)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one?
The InChIKey is FDGNTJAOBVDWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-11(21)10-18-20-12(2)13-7-8-17-15(9-13)19-14-5-3-4-6-16(14)22-17/h3-9,18-19H,10H2,1-2H3.
What are the key properties of 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one?
1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one has a molecular weight of 311.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazinyl]propan-2-one is sourced from PubChem (CID 139267153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).