N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H14F3N5S — CID 67221158

IUPACN-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2cn3nc(NCCc4ccncc4)sc3n2)c1
InChIInChI=1S/C18H14F3N5S/c19-18(20,21)14-3-1-2-13(10-14)15-11-26-17(24-15)27-16(25-26)23-9-6-12-4-7-22-8-5-12/h1-5,7-8,10-11H,6,9H2,(H,23,25)
InChIKeyCPAHJLHRLJNFHX-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.53
Rot. Bonds5

About N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67221158) has the molecular formula C18H14F3N5S and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67221158
Molecular FormulaC18H14F3N5S
Molecular Weight389.41 g/mol
Exact Mass389.09
IUPAC NameN-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2cn3nc(NCCc4ccncc4)sc3n2)c1
InChIInChI=1S/C18H14F3N5S/c19-18(20,21)14-3-1-2-13(10-14)15-11-26-17(24-15)27-16(25-26)23-9-6-12-4-7-22-8-5-12/h1-5,7-8,10-11H,6,9H2,(H,23,25)
InChIKeyCPAHJLHRLJNFHX-UHFFFAOYSA-N
XLogP4.53
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9459968
3-[2-(2-pyrazin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid
CID 67337075
1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
CID 67221150
N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide
CID 67221934
6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221992
N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220880
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b][1,2,4]triazine
CID 67909742
6-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220988
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67221158) is N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is FC(F)(F)c1cccc(-c2cn3nc(NCCc4ccncc4)sc3n2)c1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is CPAHJLHRLJNFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5S/c19-18(20,21)14-3-1-2-13(10-14)15-11-26-17(24-15)27-16(25-26)23-9-6-12-4-7-22-8-5-12/h1-5,7-8,10-11H,6,9H2,(H,23,25).
What are the key properties of N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 389.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67221158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).