N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C21H23N5S — CID 168577947

IUPACN-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccc(C=NNc3nc(-c4ccccc4)cs3)cc2)CC1
InChIInChI=1S/C21H23N5S/c1-25-11-13-26(14-12-25)19-9-7-17(8-10-19)15-22-24-21-23-20(16-27-21)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,23,24)
InChIKeySPJFKNWFBCDSHU-UHFFFAOYSA-N
MW377.52 g/mol
LogP4.01
Rot. Bonds5

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

N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577947) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577947
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC NameN-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccc(C=NNc3nc(-c4ccccc4)cs3)cc2)CC1
InChIInChI=1S/C21H23N5S/c1-25-11-13-26(14-12-25)19-9-7-17(8-10-19)15-22-24-21-23-20(16-27-21)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,23,24)
InChIKeySPJFKNWFBCDSHU-UHFFFAOYSA-N
XLogP4.01
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168577812
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-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
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
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511
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
N-[(3-methylbenzimidazol-5-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579299

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577947) is N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CN1CCN(c2ccc(C=NNc3nc(-c4ccccc4)cs3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is SPJFKNWFBCDSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-25-11-13-26(14-12-25)19-9-7-17(8-10-19)15-22-24-21-23-20(16-27-21)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,23,24).
What are the key properties of N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 377.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).