N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine

C14H13FN6OS — CID 121274938

IUPACN-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC1NC=C2SC(c3nnc(NCc4ccccc4F)o3)=NN21
InChIInChI=1S/C14H13FN6OS/c1-8-16-7-11-21(8)20-13(23-11)12-18-19-14(22-12)17-6-9-4-2-3-5-10(9)15/h2-5,7-8,16H,6H2,1H3,(H,17,19)
InChIKeyGCCWBVSDGKEADY-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.28
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine

N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 121274938) has the molecular formula C14H13FN6OS and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID121274938
Molecular FormulaC14H13FN6OS
Molecular Weight332.36 g/mol
Exact Mass332.09
IUPAC NameN-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC1NC=C2SC(c3nnc(NCc4ccccc4F)o3)=NN21
InChIInChI=1S/C14H13FN6OS/c1-8-16-7-11-21(8)20-13(23-11)12-18-19-14(22-12)17-6-9-4-2-3-5-10(9)15/h2-5,7-8,16H,6H2,1H3,(H,17,19)
InChIKeyGCCWBVSDGKEADY-UHFFFAOYSA-N
XLogP2.28
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-tert-butyl-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75446178
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 118740620
5-tert-butyl-N-(3-fluorobenzyl)-1,3,4-oxadiazol-2-amine
CID 72917356
N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596432
N-[(3-fluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115777253
N-[(3,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115777256
N-[(4-fluoro-3-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115777261
N-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115777266
N-[(2,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115777277
N-[(3,5-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924718
N-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924734
N-[(2,6-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924739

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine (CID 121274938) is N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine is CC1NC=C2SC(c3nnc(NCc4ccccc4F)o3)=NN21.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GCCWBVSDGKEADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6OS/c1-8-16-7-11-21(8)20-13(23-11)12-18-19-14(22-12)17-6-9-4-2-3-5-10(9)15/h2-5,7-8,16H,6H2,1H3,(H,17,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine?
N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 332.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-(5-methyl-5,6-dihydroimidazo[5,1-b][1,3,4]thiadiazol-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 121274938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).