N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide

C28H31N5O2S — CID 4169019

IUPACN'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C28H31N5O2S/c34-27(14-16-31-18-20-32(21-19-31)22-8-2-1-3-9-22)29-30-28(35)15-17-33-23-10-4-6-12-25(23)36-26-13-7-5-11-24(26)33/h1-13H,14-21H2,(H,29,34)(H,30,35)
InChIKeyBTVGEZCKDWNTRR-UHFFFAOYSA-N
MW501.66 g/mol
LogP4.04
Rot. Bonds7

About N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide

N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide (PubChem CID 4169019) has the molecular formula C28H31N5O2S and a molecular weight of 501.66 g/mol. Its IUPAC name is N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
PubChem CID4169019
Molecular FormulaC28H31N5O2S
Molecular Weight501.66 g/mol
Exact Mass501.22
IUPAC NameN'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C28H31N5O2S/c34-27(14-16-31-18-20-32(21-19-31)22-8-2-1-3-9-22)29-30-28(35)15-17-33-23-10-4-6-12-25(23)36-26-13-7-5-11-24(26)33/h1-13H,14-21H2,(H,29,34)(H,30,35)
InChIKeyBTVGEZCKDWNTRR-UHFFFAOYSA-N
XLogP4.04
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.66
LogP ≤ 54.04
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenothiazin-10-yl-N'-phenylpropanehydrazide
CID 78775040
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
N'-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4541503
2-chloro-10-[3-(4-phenylpiperazin-1-yl)propyl]phenothiazine
CID 135251831
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075
3-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 24979593
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide
CID 31962588
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-phenothiazin-10-ylpropan-1-one
CID 3618760
10-[4-(4-phenylpiperazin-1-yl)butyl]-2-(trifluoromethyl)phenothiazine
CID 135251829
2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 26523820
2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 7551003

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The IUPAC name of N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide (CID 4169019) is N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide.
What is the SMILES notation for N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The canonical SMILES for N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide is O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The InChIKey is BTVGEZCKDWNTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2S/c34-27(14-16-31-18-20-32(21-19-31)22-8-2-1-3-9-22)29-30-28(35)15-17-33-23-10-4-6-12-25(23)36-26-13-7-5-11-24(26)33/h1-13H,14-21H2,(H,29,34)(H,30,35).
What are the key properties of N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide?
N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide has a molecular weight of 501.66 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 4169019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).