5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H14FN5S — CID 58285383

IUPAC5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1
InChIInChI=1S/C17H14FN5S/c18-14-3-1-2-13(10-14)15-11-21-17-23(15)22-16(24-17)20-9-6-12-4-7-19-8-5-12/h1-5,7-8,10-11H,6,9H2,(H,20,22)
InChIKeyBRJFUFWYUJOFHP-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.65
Rot. Bonds5

About 5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285383) has the molecular formula C17H14FN5S and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285383
Molecular FormulaC17H14FN5S
Molecular Weight339.40 g/mol
Exact Mass339.10
IUPAC Name5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1
InChIInChI=1S/C17H14FN5S/c18-14-3-1-2-13(10-14)15-11-21-17-23(15)22-16(24-17)20-9-6-12-4-7-19-8-5-12/h1-5,7-8,10-11H,6,9H2,(H,20,22)
InChIKeyBRJFUFWYUJOFHP-UHFFFAOYSA-N
XLogP3.65
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285383) is 5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Fc1cccc(-c2cnc3sc(NCCc4ccncc4)nn23)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is BRJFUFWYUJOFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5S/c18-14-3-1-2-13(10-14)15-11-21-17-23(15)22-16(24-17)20-9-6-12-4-7-19-8-5-12/h1-5,7-8,10-11H,6,9H2,(H,20,22).
What are the key properties of 5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 339.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).