2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide

C17H18N4O2S — CID 53461661

IUPAC2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide
SMILESCC(N)C(=O)NNCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N4O2S/c1-11(18)17(23)20-19-10-16(22)21-12-6-2-4-8-14(12)24-15-9-5-3-7-13(15)21/h2-9,11,19H,10,18H2,1H3,(H,20,23)
InChIKeyFAPLWNHTWBSOPO-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.78
Rot. Bonds4

About 2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide

2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide (PubChem CID 53461661) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide.

Molecular Properties

Compound Name2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide
PubChem CID53461661
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide
SMILESCC(N)C(=O)NNCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N4O2S/c1-11(18)17(23)20-19-10-16(22)21-12-6-2-4-8-14(12)24-15-9-5-3-7-13(15)21/h2-9,11,19H,10,18H2,1H3,(H,20,23)
InChIKeyFAPLWNHTWBSOPO-UHFFFAOYSA-N
XLogP1.78
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide
CID 3069197
N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
CID 2972347
2-methylpropyl phenothiazine-10-carboxylate
CID 139765578
2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1-phenothiazin-10-ylethanone
CID 27026630
N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
CID 705761
2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone
CID 20788204
2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride
CID 2936524
3-bromo-1-phenothiazin-10-ylpropan-1-one
CID 3487991
1-ethylphenothiazine-10-carboxylic acid;hydrochloride
CID 174463458
dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium
CID 4086597
N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
CID 2936908
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide?
The IUPAC name of 2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide (CID 53461661) is 2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide.
What is the SMILES notation for 2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide?
The canonical SMILES for 2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide is CC(N)C(=O)NNCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide?
The InChIKey is FAPLWNHTWBSOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11(18)17(23)20-19-10-16(22)21-12-6-2-4-8-14(12)24-15-9-5-3-7-13(15)21/h2-9,11,19H,10,18H2,1H3,(H,20,23).
What are the key properties of 2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide?
2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide has a molecular weight of 342.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide is sourced from PubChem (CID 53461661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).