N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine

C13H14FN3OS — CID 63809486

IUPACN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
SMILESCc1nnc(Sc2ccc(F)cc2CNC2CC2)o1
InChIInChI=1S/C13H14FN3OS/c1-8-16-17-13(18-8)19-12-5-2-10(14)6-9(12)7-15-11-3-4-11/h2,5-6,11,15H,3-4,7H2,1H3
InChIKeyYBVVGKMDDSXZPU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.92
Rot. Bonds5

About N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine

N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine (PubChem CID 63809486) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
PubChem CID63809486
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
SMILESCc1nnc(Sc2ccc(F)cc2CNC2CC2)o1
InChIInChI=1S/C13H14FN3OS/c1-8-16-17-13(18-8)19-12-5-2-10(14)6-9(12)7-15-11-3-4-11/h2,5-6,11,15H,3-4,7H2,1H3
InChIKeyYBVVGKMDDSXZPU-UHFFFAOYSA-N
XLogP2.92
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine (CID 63809486) is N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine is Cc1nnc(Sc2ccc(F)cc2CNC2CC2)o1.
What is the InChIKey of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine?
The InChIKey is YBVVGKMDDSXZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8-16-17-13(18-8)19-12-5-2-10(14)6-9(12)7-15-11-3-4-11/h2,5-6,11,15H,3-4,7H2,1H3.
What are the key properties of N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine?
N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine has a molecular weight of 279.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63809486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).