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

C20H17FN4OS — CID 53163379

IUPACN-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide
SMILESCCc1nn2c(CNC(=O)c3cccc(F)c3)c(-c3ccccc3)nc2s1
InChIInChI=1S/C20H17FN4OS/c1-2-17-24-25-16(12-22-19(26)14-9-6-10-15(21)11-14)18(23-20(25)27-17)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,22,26)
InChIKeyJLAMBPNOTJVDIE-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.09
Rot. Bonds5

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

N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide (PubChem CID 53163379) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide
PubChem CID53163379
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC NameN-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide
SMILESCCc1nn2c(CNC(=O)c3cccc(F)c3)c(-c3ccccc3)nc2s1
InChIInChI=1S/C20H17FN4OS/c1-2-17-24-25-16(12-22-19(26)14-9-6-10-15(21)11-14)18(23-20(25)27-17)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,22,26)
InChIKeyJLAMBPNOTJVDIE-UHFFFAOYSA-N
XLogP4.09
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-methylbenzamide
CID 53163320
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,4-dimethylbenzamide
CID 53163339
3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671393
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3-phenylbenzamide
CID 110400933
3-fluoro-N-[[4-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 25239429
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
CID 53163297
3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
CID 7287078

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide (CID 53163379) is N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide is CCc1nn2c(CNC(=O)c3cccc(F)c3)c(-c3ccccc3)nc2s1.
What is the InChIKey of N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide?
The InChIKey is JLAMBPNOTJVDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-2-17-24-25-16(12-22-19(26)14-9-6-10-15(21)11-14)18(23-20(25)27-17)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,22,26).
What are the key properties of N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide?
N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide has a molecular weight of 380.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 53163379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).