2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide

C19H22N4S2 — CID 4085607

IUPAC2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide
SMILESCC1CN(C(=S)Nc2ccccc2)CCN1C(=S)Nc1ccccc1
InChIInChI=1S/C19H22N4S2/c1-15-14-22(18(24)20-16-8-4-2-5-9-16)12-13-23(15)19(25)21-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyKZNKXCFICQBKTP-UHFFFAOYSA-N
MW370.55 g/mol
LogP3.79
Rot. Bonds2

About 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide

2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide (PubChem CID 4085607) has the molecular formula C19H22N4S2 and a molecular weight of 370.55 g/mol. Its IUPAC name is 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide.

Molecular Properties

Compound Name2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide
PubChem CID4085607
Molecular FormulaC19H22N4S2
Molecular Weight370.55 g/mol
Exact Mass370.13
IUPAC Name2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide
SMILESCC1CN(C(=S)Nc2ccccc2)CCN1C(=S)Nc1ccccc1
InChIInChI=1S/C19H22N4S2/c1-15-14-22(18(24)20-16-8-4-2-5-9-16)12-13-23(15)19(25)21-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyKZNKXCFICQBKTP-UHFFFAOYSA-N
XLogP3.79
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis(3,4-dichlorophenyl)-2-methylpiperazine-1,4-dicarbothioamide
CID 20788469
(3S)-3-methyl-N-phenylpiperidine-1-carbothioamide
CID 785499
(2S)-1-N,4-N-dibenzyl-2-methylpiperazine-1,4-dicarbothioamide
CID 27235619
4-formyl-2,5-dimethyl-N-phenylpiperazine-1-carbothioamide
CID 3897047
tert-butyl 3-methyl-4-[(4-methylphenyl)carbamothioyl]piperazine-1-carboxylate
CID 155539086
9-methyl-N-phenyl-3,9-diazabicyclo[4.2.1]nonane-3-carbothioamide
CID 115667354
N-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide
CID 115629749
N-phenyl-4-propan-2-ylpiperazine-1-carbothioamide
CID 45366687
2-ethyl-N-phenylmorpholine-4-carbothioamide
CID 116507471
N-phenylmorpholine-4-carbothioamide
CID 139054920
4-(2-methylpropyl)-N-phenylpiperazine-1-carbothioamide
CID 45366684
3-morpholin-4-yl-N-phenylpyrrolidine-1-carbothioamide
CID 115648787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide?
The IUPAC name of 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide (CID 4085607) is 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide.
What is the SMILES notation for 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide?
The canonical SMILES for 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide is CC1CN(C(=S)Nc2ccccc2)CCN1C(=S)Nc1ccccc1.
What is the InChIKey of 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide?
The InChIKey is KZNKXCFICQBKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S2/c1-15-14-22(18(24)20-16-8-4-2-5-9-16)12-13-23(15)19(25)21-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide?
2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide has a molecular weight of 370.55 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide is sourced from PubChem (CID 4085607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).