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

C19H20N4S — CID 117097264

IUPAC4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3ccc(N4CCNCC4)cc3)n2)cc1
InChIInChI=1S/C19H20N4S/c1-2-4-15(5-3-1)18-14-24-19(22-18)21-16-6-8-17(9-7-16)23-12-10-20-11-13-23/h1-9,14,20H,10-13H2,(H,21,22)
InChIKeyBZKKQQBJMYSYPN-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.96
Rot. Bonds4

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

4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 117097264) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID117097264
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3ccc(N4CCNCC4)cc3)n2)cc1
InChIInChI=1S/C19H20N4S/c1-2-4-15(5-3-1)18-14-24-19(22-18)21-16-6-8-17(9-7-16)23-12-10-20-11-13-23/h1-9,14,20H,10-13H2,(H,21,22)
InChIKeyBZKKQQBJMYSYPN-UHFFFAOYSA-N
XLogP3.96
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58911009
N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214659
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 58910720
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-phenyl-N-[(2-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168577813

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine (CID 117097264) is 4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine is c1ccc(-c2csc(Nc3ccc(N4CCNCC4)cc3)n2)cc1.
What is the InChIKey of 4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is BZKKQQBJMYSYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c1-2-4-15(5-3-1)18-14-24-19(22-18)21-16-6-8-17(9-7-16)23-12-10-20-11-13-23/h1-9,14,20H,10-13H2,(H,21,22).
What are the key properties of 4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine?
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 336.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 117097264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).