3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine

C21H14FN5S — CID 118431180

IUPAC3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2cccc(-c3cnc4cc(-c5ccc(F)cc5)ccn34)c2)ns1
InChIInChI=1S/C21H14FN5S/c22-17-6-4-13(5-7-17)14-8-9-27-18(12-24-19(27)11-14)15-2-1-3-16(10-15)20-25-21(23)28-26-20/h1-12H,(H2,23,25,26)
InChIKeyMHOWZMWVNHYXFZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.91
Rot. Bonds3

About 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine

3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine (PubChem CID 118431180) has the molecular formula C21H14FN5S and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine
PubChem CID118431180
Molecular FormulaC21H14FN5S
Molecular Weight387.44 g/mol
Exact Mass387.10
IUPAC Name3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2cccc(-c3cnc4cc(-c5ccc(F)cc5)ccn34)c2)ns1
InChIInChI=1S/C21H14FN5S/c22-17-6-4-13(5-7-17)14-8-9-27-18(12-24-19(27)11-14)15-2-1-3-16(10-15)20-25-21(23)28-26-20/h1-12H,(H2,23,25,26)
InChIKeyMHOWZMWVNHYXFZ-UHFFFAOYSA-N
XLogP4.91
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine (CID 118431180) is 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine is Nc1nc(-c2cccc(-c3cnc4cc(-c5ccc(F)cc5)ccn34)c2)ns1.
What is the InChIKey of 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is MHOWZMWVNHYXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5S/c22-17-6-4-13(5-7-17)14-8-9-27-18(12-24-19(27)11-14)15-2-1-3-16(10-15)20-25-21(23)28-26-20/h1-12H,(H2,23,25,26).
What are the key properties of 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine?
3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 387.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 118431180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).