hydrazinyl 3-phenothiazin-10-ylpropanoate

C15H15N3O2S — CID 66337325

IUPAChydrazinyl 3-phenothiazin-10-ylpropanoate
SMILESNNOC(=O)CCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H15N3O2S/c16-17-20-15(19)9-10-18-11-5-1-3-7-13(11)21-14-8-4-2-6-12(14)18/h1-8,17H,9-10,16H2
InChIKeyLQPLKIMPCPWQCE-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.60
Rot. Bonds4

About hydrazinyl 3-phenothiazin-10-ylpropanoate

hydrazinyl 3-phenothiazin-10-ylpropanoate (PubChem CID 66337325) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is hydrazinyl 3-phenothiazin-10-ylpropanoate.

Molecular Properties

Compound Namehydrazinyl 3-phenothiazin-10-ylpropanoate
PubChem CID66337325
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Namehydrazinyl 3-phenothiazin-10-ylpropanoate
SMILESNNOC(=O)CCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H15N3O2S/c16-17-20-15(19)9-10-18-11-5-1-3-7-13(11)21-14-8-4-2-6-12(14)18/h1-8,17H,9-10,16H2
InChIKeyLQPLKIMPCPWQCE-UHFFFAOYSA-N
XLogP2.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-phenothiazin-10-ylpropanoate
CID 20768351
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate
CID 29169336
ethoxyphosphanylmethyl 3-phenothiazin-10-ylpropanoate
CID 142057273
[2-(4-acetamidoanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate
CID 2357448
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-phenothiazin-10-ylpropanoate
CID 2368197
[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenothiazin-10-ylpropanoate
CID 4648149
[2-(4-nitroanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate
CID 3274272
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-phenothiazin-10-ylpropanoate
CID 5185612
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-phenothiazin-10-ylpropanoate
CID 2111863
[3-(trifluoromethyl)phenyl]methyl 3-phenothiazin-10-ylpropanoate
CID 2392015
(3-nitrophenyl)methyl 3-phenothiazin-10-ylpropanoate
CID 23913437
3-phenothiazin-10-yl-N'-phenylpropanehydrazide
CID 78775040

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-phenothiazin-10-ylpropanoate?
The IUPAC name of hydrazinyl 3-phenothiazin-10-ylpropanoate (CID 66337325) is hydrazinyl 3-phenothiazin-10-ylpropanoate.
What is the SMILES notation for hydrazinyl 3-phenothiazin-10-ylpropanoate?
The canonical SMILES for hydrazinyl 3-phenothiazin-10-ylpropanoate is NNOC(=O)CCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of hydrazinyl 3-phenothiazin-10-ylpropanoate?
The InChIKey is LQPLKIMPCPWQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-17-20-15(19)9-10-18-11-5-1-3-7-13(11)21-14-8-4-2-6-12(14)18/h1-8,17H,9-10,16H2.
What are the key properties of hydrazinyl 3-phenothiazin-10-ylpropanoate?
hydrazinyl 3-phenothiazin-10-ylpropanoate has a molecular weight of 301.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-phenothiazin-10-ylpropanoate is sourced from PubChem (CID 66337325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).