2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

C25H29FN6S — CID 25052821

IUPAC2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc(N3CCN(Cc4ccccc4)CC3)nn12
InChIInChI=1S/C25H29FN6S/c1-25(2,3)28-22-21(19-10-7-11-20(26)16-19)27-23-32(22)29-24(33-23)31-14-12-30(13-15-31)17-18-8-5-4-6-9-18/h4-11,16,28H,12-15,17H2,1-3H3
InChIKeyLINLNDBSSXVXKO-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.13
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 25052821) has the molecular formula C25H29FN6S and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID25052821
Molecular FormulaC25H29FN6S
Molecular Weight464.61 g/mol
Exact Mass464.22
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc(N3CCN(Cc4ccccc4)CC3)nn12
InChIInChI=1S/C25H29FN6S/c1-25(2,3)28-22-21(19-10-7-11-20(26)16-19)27-23-32(22)29-24(33-23)31-14-12-30(13-15-31)17-18-8-5-4-6-9-18/h4-11,16,28H,12-15,17H2,1-3H3
InChIKeyLINLNDBSSXVXKO-UHFFFAOYSA-N
XLogP5.13
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 25052821) is 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is CC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc(N3CCN(Cc4ccccc4)CC3)nn12.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is LINLNDBSSXVXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6S/c1-25(2,3)28-22-21(19-10-7-11-20(26)16-19)27-23-32(22)29-24(33-23)31-14-12-30(13-15-31)17-18-8-5-4-6-9-18/h4-11,16,28H,12-15,17H2,1-3H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 464.61 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-tert-butyl-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 25052821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).