N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine

C12H11N3OS2 — CID 114183142

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
SMILESc1csc(-c2csc(CNCc3ncon3)c2)c1
InChIInChI=1S/C12H11N3OS2/c1-2-11(17-3-1)9-4-10(18-7-9)5-13-6-12-14-8-16-15-12/h1-4,7-8,13H,5-6H2
InChIKeyWCQJZEKNCCJPPA-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.15
Rot. Bonds5

About N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine

N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine (PubChem CID 114183142) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
PubChem CID114183142
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
SMILESc1csc(-c2csc(CNCc3ncon3)c2)c1
InChIInChI=1S/C12H11N3OS2/c1-2-11(17-3-1)9-4-10(18-7-9)5-13-6-12-14-8-16-15-12/h1-4,7-8,13H,5-6H2
InChIKeyWCQJZEKNCCJPPA-UHFFFAOYSA-N
XLogP3.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine (CID 114183142) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine is c1csc(-c2csc(CNCc3ncon3)c2)c1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
The InChIKey is WCQJZEKNCCJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-2-11(17-3-1)9-4-10(18-7-9)5-13-6-12-14-8-16-15-12/h1-4,7-8,13H,5-6H2.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-thiophen-2-ylthiophen-2-yl)methanamine is sourced from PubChem (CID 114183142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).