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

C15H21F3N4S — CID 75414039

IUPAC6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NC3CCCC(C(F)(F)F)C3)sc2n1
InChIInChI=1S/C15H21F3N4S/c1-14(2,3)11-8-22-13(20-11)23-12(21-22)19-10-6-4-5-9(7-10)15(16,17)18/h8-10H,4-7H2,1-3H3,(H,19,21)
InChIKeyPPRCQJVLJIJRLE-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.62
Rot. Bonds2

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

6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 75414039) has the molecular formula C15H21F3N4S and a molecular weight of 346.42 g/mol. Its IUPAC name is 6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID75414039
Molecular FormulaC15H21F3N4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NC3CCCC(C(F)(F)F)C3)sc2n1
InChIInChI=1S/C15H21F3N4S/c1-14(2,3)11-8-22-13(20-11)23-12(21-22)19-10-6-4-5-9(7-10)15(16,17)18/h8-10H,4-7H2,1-3H3,(H,19,21)
InChIKeyPPRCQJVLJIJRLE-UHFFFAOYSA-N
XLogP4.62
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.62
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-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 75414039) is 6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)(C)c1cn2nc(NC3CCCC(C(F)(F)F)C3)sc2n1.
What is the InChIKey of 6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is PPRCQJVLJIJRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4S/c1-14(2,3)11-8-22-13(20-11)23-12(21-22)19-10-6-4-5-9(7-10)15(16,17)18/h8-10H,4-7H2,1-3H3,(H,19,21).
What are the key properties of 6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 346.42 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 75414039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).