1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide

C19H17FN4O2S2 — CID 53163198

IUPAC1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide
SMILESCc1nn2c(CNS(=O)(=O)Cc3ccccc3F)c(-c3ccccc3)nc2s1
InChIInChI=1S/C19H17FN4O2S2/c1-13-23-24-17(18(22-19(24)27-13)14-7-3-2-4-8-14)11-21-28(25,26)12-15-9-5-6-10-16(15)20/h2-10,21H,11-12H2,1H3
InChIKeyAZGSYFYZKKAIIO-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.52
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide

1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide (PubChem CID 53163198) has the molecular formula C19H17FN4O2S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide
PubChem CID53163198
Molecular FormulaC19H17FN4O2S2
Molecular Weight416.50 g/mol
Exact Mass416.08
IUPAC Name1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide
SMILESCc1nn2c(CNS(=O)(=O)Cc3ccccc3F)c(-c3ccccc3)nc2s1
InChIInChI=1S/C19H17FN4O2S2/c1-13-23-24-17(18(22-19(24)27-13)14-7-3-2-4-8-14)11-21-28(25,26)12-15-9-5-6-10-16(15)20/h2-10,21H,11-12H2,1H3
InChIKeyAZGSYFYZKKAIIO-UHFFFAOYSA-N
XLogP3.52
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide 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 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide (CID 53163198) is 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide is Cc1nn2c(CNS(=O)(=O)Cc3ccccc3F)c(-c3ccccc3)nc2s1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide?
The InChIKey is AZGSYFYZKKAIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S2/c1-13-23-24-17(18(22-19(24)27-13)14-7-3-2-4-8-14)11-21-28(25,26)12-15-9-5-6-10-16(15)20/h2-10,21H,11-12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 53163198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).