N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine

C21H19F2N5S — CID 133272090

IUPACN-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
SMILESFc1ccc(NC2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1
InChIInChI=1S/C21H19F2N5S/c22-15-3-1-14(2-4-15)19-13-28-20(25-19)29-21(26-28)27-11-9-18(10-12-27)24-17-7-5-16(23)6-8-17/h1-8,13,18,24H,9-12H2
InChIKeyALBSJILAWCZUOH-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.82
Rot. Bonds4

About N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine

N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine (PubChem CID 133272090) has the molecular formula C21H19F2N5S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
PubChem CID133272090
Molecular FormulaC21H19F2N5S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
SMILESFc1ccc(NC2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1
InChIInChI=1S/C21H19F2N5S/c22-15-3-1-14(2-4-15)19-13-28-20(25-19)29-21(26-28)27-11-9-18(10-12-27)24-17-7-5-16(23)6-8-17/h1-8,13,18,24H,9-12H2
InChIKeyALBSJILAWCZUOH-UHFFFAOYSA-N
XLogP4.82
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine (CID 133272090) is N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine is Fc1ccc(NC2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine?
The InChIKey is ALBSJILAWCZUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5S/c22-15-3-1-14(2-4-15)19-13-28-20(25-19)29-21(26-28)27-11-9-18(10-12-27)24-17-7-5-16(23)6-8-17/h1-8,13,18,24H,9-12H2.
What are the key properties of N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine?
N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine has a molecular weight of 411.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine is sourced from PubChem (CID 133272090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).