4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine

C24H27F3N4S — CID 11633992

IUPAC4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(N2CCN(CCCCNc3nc(-c4ccccc4)cs3)CC2)c1
InChIInChI=1S/C24H27F3N4S/c25-24(26,27)20-9-6-10-21(17-20)31-15-13-30(14-16-31)12-5-4-11-28-23-29-22(18-32-23)19-7-2-1-3-8-19/h1-3,6-10,17-18H,4-5,11-16H2,(H,28,29)
InChIKeyZZWMQJQCXDWUTD-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.84
Rot. Bonds8

About 4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine

4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine (PubChem CID 11633992) has the molecular formula C24H27F3N4S and a molecular weight of 460.57 g/mol. Its IUPAC name is 4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine
PubChem CID11633992
Molecular FormulaC24H27F3N4S
Molecular Weight460.57 g/mol
Exact Mass460.19
IUPAC Name4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(N2CCN(CCCCNc3nc(-c4ccccc4)cs3)CC2)c1
InChIInChI=1S/C24H27F3N4S/c25-24(26,27)20-9-6-10-21(17-20)31-15-13-30(14-16-31)12-5-4-11-28-23-29-22(18-32-23)19-7-2-1-3-8-19/h1-3,6-10,17-18H,4-5,11-16H2,(H,28,29)
InChIKeyZZWMQJQCXDWUTD-UHFFFAOYSA-N
XLogP5.84
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine (CID 11633992) is 4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine is FC(F)(F)c1cccc(N2CCN(CCCCNc3nc(-c4ccccc4)cs3)CC2)c1.
What is the InChIKey of 4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine?
The InChIKey is ZZWMQJQCXDWUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4S/c25-24(26,27)20-9-6-10-21(17-20)31-15-13-30(14-16-31)12-5-4-11-28-23-29-22(18-32-23)19-7-2-1-3-8-19/h1-3,6-10,17-18H,4-5,11-16H2,(H,28,29).
What are the key properties of 4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine?
4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine has a molecular weight of 460.57 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11633992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).