N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine

C20H22FN3OS — CID 18103345

IUPACN-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine
SMILESCCc1sc(-c2nnc(CN(Cc3ccccc3F)C3CC3)o2)cc1C
InChIInChI=1S/C20H22FN3OS/c1-3-17-13(2)10-18(26-17)20-23-22-19(25-20)12-24(15-8-9-15)11-14-6-4-5-7-16(14)21/h4-7,10,15H,3,8-9,11-12H2,1-2H3
InChIKeyPYEFWXROMPIPPS-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.97
Rot. Bonds7

About N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine

N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine (PubChem CID 18103345) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine
PubChem CID18103345
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC NameN-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine
SMILESCCc1sc(-c2nnc(CN(Cc3ccccc3F)C3CC3)o2)cc1C
InChIInChI=1S/C20H22FN3OS/c1-3-17-13(2)10-18(26-17)20-23-22-19(25-20)12-24(15-8-9-15)11-14-6-4-5-7-16(14)21/h4-7,10,15H,3,8-9,11-12H2,1-2H3
InChIKeyPYEFWXROMPIPPS-UHFFFAOYSA-N
XLogP4.97
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine (CID 18103345) is N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine is CCc1sc(-c2nnc(CN(Cc3ccccc3F)C3CC3)o2)cc1C.
What is the InChIKey of N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine?
The InChIKey is PYEFWXROMPIPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-3-17-13(2)10-18(26-17)20-23-22-19(25-20)12-24(15-8-9-15)11-14-6-4-5-7-16(14)21/h4-7,10,15H,3,8-9,11-12H2,1-2H3.
What are the key properties of N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine?
N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine has a molecular weight of 371.48 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 18103345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).