4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine

C20H21N5S — CID 168577812

IUPAC4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESC(=NNc1nc(-c2ccccc2)cs1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C20H21N5S/c1-2-4-17(5-3-1)19-15-26-20(23-19)24-22-14-16-6-8-18(9-7-16)25-12-10-21-11-13-25/h1-9,14-15,21H,10-13H2,(H,23,24)
InChIKeyWBRJWUXMDOITRN-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.67
Rot. Bonds5

About 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine

4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168577812) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID168577812
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESC(=NNc1nc(-c2ccccc2)cs1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C20H21N5S/c1-2-4-17(5-3-1)19-15-26-20(23-19)24-22-14-16-6-8-18(9-7-16)25-12-10-21-11-13-25/h1-9,14-15,21H,10-13H2,(H,23,24)
InChIKeyWBRJWUXMDOITRN-UHFFFAOYSA-N
XLogP3.67
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine 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-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577947
4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168577813
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 86580247
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576719
2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168576884

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 168577812) is 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine is C(=NNc1nc(-c2ccccc2)cs1)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is WBRJWUXMDOITRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-2-4-17(5-3-1)19-15-26-20(23-19)24-22-14-16-6-8-18(9-7-16)25-12-10-21-11-13-25/h1-9,14-15,21H,10-13H2,(H,23,24).
What are the key properties of 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 363.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168577812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).