6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H19F3N4S — CID 75405190

IUPAC6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(Nc1nn2cc(C(C)(C)C)nc2s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N4S/c1-10(11-7-5-6-8-12(11)17(18,19)20)21-14-23-24-9-13(16(2,3)4)22-15(24)25-14/h5-10H,1-4H3,(H,21,23)
InChIKeyFUCXHJYESPLFEB-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.28
Rot. Bonds3

About 6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 75405190) has the molecular formula C17H19F3N4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID75405190
Molecular FormulaC17H19F3N4S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC Name6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(Nc1nn2cc(C(C)(C)C)nc2s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N4S/c1-10(11-7-5-6-8-12(11)17(18,19)20)21-14-23-24-9-13(16(2,3)4)22-15(24)25-14/h5-10H,1-4H3,(H,21,23)
InChIKeyFUCXHJYESPLFEB-UHFFFAOYSA-N
XLogP5.28
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 75405190) is 6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(Nc1nn2cc(C(C)(C)C)nc2s1)c1ccccc1C(F)(F)F.
What is the InChIKey of 6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is FUCXHJYESPLFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4S/c1-10(11-7-5-6-8-12(11)17(18,19)20)21-14-23-24-9-13(16(2,3)4)22-15(24)25-14/h5-10H,1-4H3,(H,21,23).
What are the key properties of 6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 368.43 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 75405190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).