N-(4-phenylpiperazine-1-carbothioyl)benzamide

C18H19N3OS — CID 886842

IUPACN-(4-phenylpiperazine-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C18H19N3OS/c22-17(15-7-3-1-4-8-15)19-18(23)21-13-11-20(12-14-21)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,22,23)
InChIKeyHAOXWGKZWIWPDU-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.52
Rot. Bonds2

About N-(4-phenylpiperazine-1-carbothioyl)benzamide

N-(4-phenylpiperazine-1-carbothioyl)benzamide (PubChem CID 886842) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(4-phenylpiperazine-1-carbothioyl)benzamide.

Molecular Properties

Compound NameN-(4-phenylpiperazine-1-carbothioyl)benzamide
PubChem CID886842
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(4-phenylpiperazine-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C18H19N3OS/c22-17(15-7-3-1-4-8-15)19-18(23)21-13-11-20(12-14-21)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,22,23)
InChIKeyHAOXWGKZWIWPDU-UHFFFAOYSA-N
XLogP2.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.52
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

N'-Phenyl-N-benzoylthiourea
CID 728148
2-Mercapto-3-phenylquinazolin-4(3H)-one
CID 680914
3-Allyl-2-mercapto-3H-quinazolin-4-one
CID 657947
3-(2-Phenylethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 696887
3-[2-(piperidin-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one
CID 935390
N-(((4-Methylphenyl)amino)thioxomethyl)benzamide
CID 2787704
Propiophenone, 3-(4-phenyl-1-piperazinyl)-
CID 213313
N-(((2-Methylphenyl)amino)thioxomethyl)benzamide
CID 693365
1-Benzoyl-4-phenylpiperazine
CID 258240
N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 766939
PD-168077
CID 3645619
N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylpiperazine-1-carbothioyl)benzamide?
The IUPAC name of N-(4-phenylpiperazine-1-carbothioyl)benzamide (CID 886842) is N-(4-phenylpiperazine-1-carbothioyl)benzamide.
What is the SMILES notation for N-(4-phenylpiperazine-1-carbothioyl)benzamide?
The canonical SMILES for N-(4-phenylpiperazine-1-carbothioyl)benzamide is O=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-(4-phenylpiperazine-1-carbothioyl)benzamide?
The InChIKey is HAOXWGKZWIWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-17(15-7-3-1-4-8-15)19-18(23)21-13-11-20(12-14-21)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,22,23).
What are the key properties of N-(4-phenylpiperazine-1-carbothioyl)benzamide?
N-(4-phenylpiperazine-1-carbothioyl)benzamide has a molecular weight of 325.44 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylpiperazine-1-carbothioyl)benzamide is sourced from PubChem (CID 886842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).