6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C16H24F3N5S — CID 133486753

IUPAC6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NCC3CCN(CC(F)(F)F)CC3)sc2n1
InChIInChI=1S/C16H24F3N5S/c1-15(2,3)12-9-24-14(21-12)25-13(22-24)20-8-11-4-6-23(7-5-11)10-16(17,18)19/h9,11H,4-8,10H2,1-3H3,(H,20,22)
InChIKeyOGBNWQDNWWTREV-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.77
Rot. Bonds4

About 6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133486753) has the molecular formula C16H24F3N5S and a molecular weight of 375.46 g/mol. Its IUPAC name is 6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133486753
Molecular FormulaC16H24F3N5S
Molecular Weight375.46 g/mol
Exact Mass375.17
IUPAC Name6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NCC3CCN(CC(F)(F)F)CC3)sc2n1
InChIInChI=1S/C16H24F3N5S/c1-15(2,3)12-9-24-14(21-12)25-13(22-24)20-8-11-4-6-23(7-5-11)10-16(17,18)19/h9,11H,4-8,10H2,1-3H3,(H,20,22)
InChIKeyOGBNWQDNWWTREV-UHFFFAOYSA-N
XLogP3.77
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133486753) is 6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)(C)c1cn2nc(NCC3CCN(CC(F)(F)F)CC3)sc2n1.
What is the InChIKey of 6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is OGBNWQDNWWTREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5S/c1-15(2,3)12-9-24-14(21-12)25-13(22-24)20-8-11-4-6-23(7-5-11)10-16(17,18)19/h9,11H,4-8,10H2,1-3H3,(H,20,22).
What are the key properties of 6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 375.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133486753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).