N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide

C24H26N4OS — CID 3890089

IUPACN-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
SMILESCOc1cccc(N2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C24H26N4OS/c1-29-23-9-5-8-22(18-23)27-14-16-28(17-15-27)24(30)26-21-12-10-20(11-13-21)25-19-6-3-2-4-7-19/h2-13,18,25H,14-17H2,1H3,(H,26,30)
InChIKeyQTBRKIBKCOCRJP-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.96
Rot. Bonds5

About N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide

N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide (PubChem CID 3890089) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
PubChem CID3890089
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC NameN-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
SMILESCOc1cccc(N2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C24H26N4OS/c1-29-23-9-5-8-22(18-23)27-14-16-28(17-15-27)24(30)26-21-12-10-20(11-13-21)25-19-6-3-2-4-7-19/h2-13,18,25H,14-17H2,1H3,(H,26,30)
InChIKeyQTBRKIBKCOCRJP-UHFFFAOYSA-N
XLogP4.96
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide 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

N,4-bis(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3839532
N-(4-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 8017270
N-(3-acetylphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 19655165
N-(4-methoxy-2-methylphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3858745
4-(2-hydroxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 8627137
4-[(3-methoxyphenyl)methyl]-N-phenylpiperazine-1-carbothioamide
CID 19289429
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3547091
N-(4-tert-butylphenyl)-4-phenylpiperazine-1-carbothioamide
CID 3766128
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
N-(3-methoxyphenyl)-4-(6-methyl-2-pyridinyl)piperazine-1-carbothioamide
CID 23995873
N-(3-methoxyphenyl)thiomorpholine-4-carbothioamide
CID 125475588

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide?
The IUPAC name of N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide (CID 3890089) is N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide?
The canonical SMILES for N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide is COc1cccc(N2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)c1.
What is the InChIKey of N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide?
The InChIKey is QTBRKIBKCOCRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-29-23-9-5-8-22(18-23)27-14-16-28(17-15-27)24(30)26-21-12-10-20(11-13-21)25-19-6-3-2-4-7-19/h2-13,18,25H,14-17H2,1H3,(H,26,30).
What are the key properties of N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide?
N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide has a molecular weight of 418.57 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide is sourced from PubChem (CID 3890089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).