4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide

C19H23N3OS — CID 797346

IUPAC4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide
SMILESCOc1ccccc1N1CCN(C(=S)Nc2ccccc2C)CC1
InChIInChI=1S/C19H23N3OS/c1-15-7-3-4-8-16(15)20-19(24)22-13-11-21(12-14-22)17-9-5-6-10-18(17)23-2/h3-10H,11-14H2,1-2H3,(H,20,24)
InChIKeyLTWVANCFTGETKG-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.52
Rot. Bonds3

About 4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide

4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide (PubChem CID 797346) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide
PubChem CID797346
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide
SMILESCOc1ccccc1N1CCN(C(=S)Nc2ccccc2C)CC1
InChIInChI=1S/C19H23N3OS/c1-15-7-3-4-8-16(15)20-19(24)22-13-11-21(12-14-22)17-9-5-6-10-18(17)23-2/h3-10H,11-14H2,1-2H3,(H,20,24)
InChIKeyLTWVANCFTGETKG-UHFFFAOYSA-N
XLogP3.52
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.52
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,4-bis(2-methylphenyl)piperazine-1-carbothioamide
CID 779377
N-(3-chloro-2-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 19655205
1-N,4-N-bis(2-methylphenyl)piperazine-1,4-dicarbothioamide
CID 8624605
N-(2,4-difluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 2204665
(E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)but-2-enamide
CID 1482645
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 55427013
N-ethyl-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 841458
N-(2,3-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide
CID 17171497
methyl 6-methoxy-5-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]-2-methylpyridine-3-carboxylate
CID 54456522
4-(2-methoxyphenyl)-N-(2-methylpropyl)piperazine-1-carbothioamide
CID 19655220
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 3850542
N-[4-(difluoromethoxy)phenyl]-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 3580341

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide (CID 797346) is 4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide is COc1ccccc1N1CCN(C(=S)Nc2ccccc2C)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide?
The InChIKey is LTWVANCFTGETKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-15-7-3-4-8-16(15)20-19(24)22-13-11-21(12-14-22)17-9-5-6-10-18(17)23-2/h3-10H,11-14H2,1-2H3,(H,20,24).
What are the key properties of 4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide?
4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide has a molecular weight of 341.48 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide is sourced from PubChem (CID 797346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).