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

C14H13N3OS — CID 62139251

IUPACN-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(-c3nnc(CNC4CC4)o3)csc2c1
InChIInChI=1S/C14H13N3OS/c1-2-4-12-10(3-1)11(8-19-12)14-17-16-13(18-14)7-15-9-5-6-9/h1-4,8-9,15H,5-7H2
InChIKeyAKPQEWJQSULBHP-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.20
Rot. Bonds4

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

N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62139251) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62139251
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC NameN-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(-c3nnc(CNC4CC4)o3)csc2c1
InChIInChI=1S/C14H13N3OS/c1-2-4-12-10(3-1)11(8-19-12)14-17-16-13(18-14)7-15-9-5-6-9/h1-4,8-9,15H,5-7H2
InChIKeyAKPQEWJQSULBHP-UHFFFAOYSA-N
XLogP3.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62139251) is N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is c1ccc2c(-c3nnc(CNC4CC4)o3)csc2c1.
What is the InChIKey of N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is AKPQEWJQSULBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-4-12-10(3-1)11(8-19-12)14-17-16-13(18-14)7-15-9-5-6-9/h1-4,8-9,15H,5-7H2.
What are the key properties of N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 271.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62139251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).