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

C20H20FN7S — CID 86902759

IUPAC6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(CC1CCCN1c1cccnn1)c1nn2cc(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C20H20FN7S/c1-26(12-16-4-3-11-27(16)18-5-2-10-22-24-18)20-25-28-13-17(23-19(28)29-20)14-6-8-15(21)9-7-14/h2,5-10,13,16H,3-4,11-12H2,1H3
InChIKeyMCXLDYZPRMQWPE-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.49
Rot. Bonds5

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

6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 86902759) has the molecular formula C20H20FN7S and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID86902759
Molecular FormulaC20H20FN7S
Molecular Weight409.49 g/mol
Exact Mass409.15
IUPAC Name6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(CC1CCCN1c1cccnn1)c1nn2cc(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C20H20FN7S/c1-26(12-16-4-3-11-27(16)18-5-2-10-22-24-18)20-25-28-13-17(23-19(28)29-20)14-6-8-15(21)9-7-14/h2,5-10,13,16H,3-4,11-12H2,1H3
InChIKeyMCXLDYZPRMQWPE-UHFFFAOYSA-N
XLogP3.49
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 86902759) is 6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(CC1CCCN1c1cccnn1)c1nn2cc(-c3ccc(F)cc3)nc2s1.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is MCXLDYZPRMQWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7S/c1-26(12-16-4-3-11-27(16)18-5-2-10-22-24-18)20-25-28-13-17(23-19(28)29-20)14-6-8-15(21)9-7-14/h2,5-10,13,16H,3-4,11-12H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 409.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 86902759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).