N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C21H24F3N5S — CID 66748169

IUPACN-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2cnc3sc(NC(CC4CC4)C4CCNCC4)nn23)c1
InChIInChI=1S/C21H24F3N5S/c22-21(23,24)16-3-1-2-15(11-16)18-12-26-20-29(18)28-19(30-20)27-17(10-13-4-5-13)14-6-8-25-9-7-14/h1-3,11-14,17,25H,4-10H2,(H,27,28)
InChIKeySWHHUFKRWATTOS-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.06
Rot. Bonds6

About N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 66748169) has the molecular formula C21H24F3N5S and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID66748169
Molecular FormulaC21H24F3N5S
Molecular Weight435.52 g/mol
Exact Mass435.17
IUPAC NameN-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2cnc3sc(NC(CC4CC4)C4CCNCC4)nn23)c1
InChIInChI=1S/C21H24F3N5S/c22-21(23,24)16-3-1-2-15(11-16)18-12-26-20-29(18)28-19(30-20)27-17(10-13-4-5-13)14-6-8-25-9-7-14/h1-3,11-14,17,25H,4-10H2,(H,27,28)
InChIKeySWHHUFKRWATTOS-UHFFFAOYSA-N
XLogP5.06
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 66748169) is N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is FC(F)(F)c1cccc(-c2cnc3sc(NC(CC4CC4)C4CCNCC4)nn23)c1.
What is the InChIKey of N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is SWHHUFKRWATTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5S/c22-21(23,24)16-3-1-2-15(11-16)18-12-26-20-29(18)28-19(30-20)27-17(10-13-4-5-13)14-6-8-25-9-7-14/h1-3,11-14,17,25H,4-10H2,(H,27,28).
What are the key properties of N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 435.52 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-piperidin-4-ylethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 66748169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).