N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide

C19H21N3OS — CID 974369

IUPACN-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide
SMILESCN1CCN(C(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H21N3OS/c1-21-11-13-22(14-12-21)19(24)20-18(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,23,24)
InChIKeyBCIIGQVTJATQIO-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.62
Rot. Bonds2

About N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide

N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide (PubChem CID 974369) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide
PubChem CID974369
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide
SMILESCN1CCN(C(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H21N3OS/c1-21-11-13-22(14-12-21)19(24)20-18(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,23,24)
InChIKeyBCIIGQVTJATQIO-UHFFFAOYSA-N
XLogP2.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-(piperidine-1-carbothioyl)benzamide
CID 932770
N-(4-methylpiperazine-1-carbothioyl)-4-nitrobenzamide
CID 4922670
tert-butyl 4-(benzoylcarbamothioyl)piperazine-1-carboxylate;hydrochloride
CID 45371218
N-(4-methylpiperazine-1-carbothioyl)-3-phenylprop-2-enamide
CID 4778588
1-[(4-methylbenzoyl)carbamothioyl]piperidine-4-carboxylic acid
CID 91687694
methyl 4-(4-methylpiperazin-1-yl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzoate
CID 17098889
N-(4-methylpiperazine-1-carbothioyl)-3-propoxybenzamide
CID 4960315
N-[4-(2-cyanoethyl)piperazine-1-carbothioyl]-4-methylbenzamide
CID 54788282
N-(azepane-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953016
3-iodo-4-methyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide
CID 17175927
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
CID 110345279
N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
CID 886437

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide?
The IUPAC name of N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide (CID 974369) is N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide.
What is the SMILES notation for N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide?
The canonical SMILES for N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide is CN1CCN(C(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide?
The InChIKey is BCIIGQVTJATQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-21-11-13-22(14-12-21)19(24)20-18(23)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,23,24).
What are the key properties of N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide?
N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazine-1-carbothioyl)-4-phenylbenzamide is sourced from PubChem (CID 974369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).