1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide

C20H24N4S2 — CID 8624605

IUPAC1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
SMILESCc1ccccc1NC(=S)N1CCN(C(=S)Nc2ccccc2C)CC1
InChIInChI=1S/C20H24N4S2/c1-15-7-3-5-9-17(15)21-19(25)23-11-13-24(14-12-23)20(26)22-18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyQQQIRDSFXDFXMZ-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.01
Rot. Bonds2

About 1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide

1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide (PubChem CID 8624605) has the molecular formula C20H24N4S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide.

Molecular Properties

Compound Name1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
PubChem CID8624605
Molecular FormulaC20H24N4S2
Molecular Weight384.57 g/mol
Exact Mass384.14
IUPAC Name1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
SMILESCc1ccccc1NC(=S)N1CCN(C(=S)Nc2ccccc2C)CC1
InChIInChI=1S/C20H24N4S2/c1-15-7-3-5-9-17(15)21-19(25)23-11-13-24(14-12-23)20(26)22-18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyQQQIRDSFXDFXMZ-UHFFFAOYSA-N
XLogP4.01
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-bis(2-methylphenyl)piperazine-1-carbothioamide
CID 779377
4-[(2-methylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240899
ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate
CID 886863
4-(2,3-dihydro-1H-inden-2-yl)-N-(2-methylphenyl)piperazine-1-carbothioamide
CID 100567914
N-(2-methylphenyl)-4-(thian-4-yl)piperazine-1-carbothioamide
CID 100569091
4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide
CID 797346
N-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 8619696
4-(3-chlorophenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide
CID 854798
N-(2,6-dimethylphenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]acetamide
CID 9217461
N-(2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
CID 1318610
2,6-dimethyl-N-(2-methylphenyl)morpholine-4-carbothioamide
CID 2807315
4-[hydroxy(diphenyl)methyl]-N-(2-methylphenyl)piperidine-1-carbothioamide
CID 17322028

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide?
The IUPAC name of 1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide (CID 8624605) is 1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide.
What is the SMILES notation for 1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide?
The canonical SMILES for 1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide is Cc1ccccc1NC(=S)N1CCN(C(=S)Nc2ccccc2C)CC1.
What is the InChIKey of 1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide?
The InChIKey is QQQIRDSFXDFXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S2/c1-15-7-3-5-9-17(15)21-19(25)23-11-13-24(14-12-23)20(26)22-18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide?
1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide has a molecular weight of 384.57 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide is sourced from PubChem (CID 8624605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).