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

C18H19F4N5S — CID 133486913

IUPAC6-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cn3nc(NCC4CCN(CC(F)(F)F)CC4)sc3n2)cc1
InChIInChI=1S/C18H19F4N5S/c19-14-3-1-13(2-4-14)15-10-27-17(24-15)28-16(25-27)23-9-12-5-7-26(8-6-12)11-18(20,21)22/h1-4,10,12H,5-9,11H2,(H,23,25)
InChIKeyWVHJIBHEMBOWTL-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.28
Rot. Bonds5

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

6-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133486913) has the molecular formula C18H19F4N5S and a molecular weight of 413.44 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133486913
Molecular FormulaC18H19F4N5S
Molecular Weight413.44 g/mol
Exact Mass413.13
IUPAC Name6-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cn3nc(NCC4CCN(CC(F)(F)F)CC4)sc3n2)cc1
InChIInChI=1S/C18H19F4N5S/c19-14-3-1-13(2-4-14)15-10-27-17(24-15)28-16(25-27)23-9-12-5-7-26(8-6-12)11-18(20,21)22/h1-4,10,12H,5-9,11H2,(H,23,25)
InChIKeyWVHJIBHEMBOWTL-UHFFFAOYSA-N
XLogP4.28
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]hydrazine
CID 60919771
N-ethyl-4-[[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]piperidine-1-carboxamide
CID 66748175
1-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]cyclobutan-1-ol
CID 133329855
1-[3-[2-[(1-methylpiperidin-4-yl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
CID 66748758
4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide
CID 66749413
6-(4-fluorophenyl)-N-[2-(oxolan-2-ylmethoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133314966
6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221230
3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide
CID 67221631
6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167959752
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 127470241
6-(4-fluorophenyl)-2-(3-prop-2-enoxypyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133465339
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133269862

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-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-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133486913) is 6-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Fc1ccc(-c2cn3nc(NCC4CCN(CC(F)(F)F)CC4)sc3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is WVHJIBHEMBOWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N5S/c19-14-3-1-13(2-4-14)15-10-27-17(24-15)28-16(25-27)23-9-12-5-7-26(8-6-12)11-18(20,21)22/h1-4,10,12H,5-9,11H2,(H,23,25).
What are the key properties of 6-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(4-fluorophenyl)-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 413.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-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 133486913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).