6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C15H22F3N5S — CID 133431684

IUPAC6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC1CN(c2nn3cc(C(C)(C)C)nc3s2)CCN1CC(F)(F)F
InChIInChI=1S/C15H22F3N5S/c1-10-7-21(5-6-22(10)9-15(16,17)18)13-20-23-8-11(14(2,3)4)19-12(23)24-13/h8,10H,5-7,9H2,1-4H3
InChIKeyCAOFWANFDPZRPY-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.16
Rot. Bonds2

About 6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133431684) has the molecular formula C15H22F3N5S and a molecular weight of 361.44 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133431684
Molecular FormulaC15H22F3N5S
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC Name6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC1CN(c2nn3cc(C(C)(C)C)nc3s2)CCN1CC(F)(F)F
InChIInChI=1S/C15H22F3N5S/c1-10-7-21(5-6-22(10)9-15(16,17)18)13-20-23-8-11(14(2,3)4)19-12(23)24-13/h8,10H,5-7,9H2,1-4H3
InChIKeyCAOFWANFDPZRPY-UHFFFAOYSA-N
XLogP3.16
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 133431684) is 6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is CC1CN(c2nn3cc(C(C)(C)C)nc3s2)CCN1CC(F)(F)F.
What is the InChIKey of 6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CAOFWANFDPZRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5S/c1-10-7-21(5-6-22(10)9-15(16,17)18)13-20-23-8-11(14(2,3)4)19-12(23)24-13/h8,10H,5-7,9H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 361.44 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133431684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).