3-phenothiazin-10-yl-N'-phenylpropanehydrazide

C21H19N3OS — CID 78775040

IUPAC3-phenothiazin-10-yl-N'-phenylpropanehydrazide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)NNc1ccccc1
InChIInChI=1S/C21H19N3OS/c25-21(23-22-16-8-2-1-3-9-16)14-15-24-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)24/h1-13,22H,14-15H2,(H,23,25)
InChIKeyFNERSSSHYFTBFM-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.82
Rot. Bonds5

About 3-phenothiazin-10-yl-N'-phenylpropanehydrazide

3-phenothiazin-10-yl-N'-phenylpropanehydrazide (PubChem CID 78775040) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-phenothiazin-10-yl-N'-phenylpropanehydrazide.

Molecular Properties

Compound Name3-phenothiazin-10-yl-N'-phenylpropanehydrazide
PubChem CID78775040
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name3-phenothiazin-10-yl-N'-phenylpropanehydrazide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)NNc1ccccc1
InChIInChI=1S/C21H19N3OS/c25-21(23-22-16-8-2-1-3-9-16)14-15-24-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)24/h1-13,22H,14-15H2,(H,23,25)
InChIKeyFNERSSSHYFTBFM-UHFFFAOYSA-N
XLogP4.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4169019
3-phenothiazin-10-yl-N-pyridin-3-ylpropanamide
CID 2106288
N-(1-hydroxypropan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 78857040
hydrazinyl 3-phenothiazin-10-ylpropanoate
CID 66337325
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate
CID 29169336
N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride
CID 119505196
N-(1-hydroxybutan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 112771464
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide
CID 120655173
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-phenothiazin-10-ylpropanamide
CID 37151951
ethyl (E)-N-(3-phenothiazin-10-ylpropanoyl)benzenecarbohydrazonate
CID 11091033

Frequently Asked Questions

What is the IUPAC name of 3-phenothiazin-10-yl-N'-phenylpropanehydrazide?
The IUPAC name of 3-phenothiazin-10-yl-N'-phenylpropanehydrazide (CID 78775040) is 3-phenothiazin-10-yl-N'-phenylpropanehydrazide.
What is the SMILES notation for 3-phenothiazin-10-yl-N'-phenylpropanehydrazide?
The canonical SMILES for 3-phenothiazin-10-yl-N'-phenylpropanehydrazide is O=C(CCN1c2ccccc2Sc2ccccc21)NNc1ccccc1.
What is the InChIKey of 3-phenothiazin-10-yl-N'-phenylpropanehydrazide?
The InChIKey is FNERSSSHYFTBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c25-21(23-22-16-8-2-1-3-9-16)14-15-24-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)24/h1-13,22H,14-15H2,(H,23,25).
What are the key properties of 3-phenothiazin-10-yl-N'-phenylpropanehydrazide?
3-phenothiazin-10-yl-N'-phenylpropanehydrazide has a molecular weight of 361.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenothiazin-10-yl-N'-phenylpropanehydrazide is sourced from PubChem (CID 78775040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).