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

C18H15FN4S — CID 58285527

IUPAC5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1ccccc1CNc1nn2c(-c3cccc(F)c3)cnc2s1
InChIInChI=1S/C18H15FN4S/c1-12-5-2-3-6-14(12)10-20-17-22-23-16(11-21-18(23)24-17)13-7-4-8-15(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyUEHLISBQJBKAQH-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.52
Rot. Bonds4

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

5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285527) has the molecular formula C18H15FN4S and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285527
Molecular FormulaC18H15FN4S
Molecular Weight338.41 g/mol
Exact Mass338.10
IUPAC Name5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1ccccc1CNc1nn2c(-c3cccc(F)c3)cnc2s1
InChIInChI=1S/C18H15FN4S/c1-12-5-2-3-6-14(12)10-20-17-22-23-16(11-21-18(23)24-17)13-7-4-8-15(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyUEHLISBQJBKAQH-UHFFFAOYSA-N
XLogP4.52
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285527) is 5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1ccccc1CNc1nn2c(-c3cccc(F)c3)cnc2s1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is UEHLISBQJBKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4S/c1-12-5-2-3-6-14(12)10-20-17-22-23-16(11-21-18(23)24-17)13-7-4-8-15(19)9-13/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 338.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).