N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine

C13H13N3OS2 — CID 106395635

IUPACN-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESc1csc(C(NCCc2ncon2)c2cccs2)c1
InChIInChI=1S/C13H13N3OS2/c1-3-10(18-7-1)13(11-4-2-8-19-11)14-6-5-12-15-9-17-16-12/h1-4,7-9,13-14H,5-6H2
InChIKeyILPQVHUXFNCBNO-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.11
Rot. Bonds6

About N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine

N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106395635) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106395635
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC NameN-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESc1csc(C(NCCc2ncon2)c2cccs2)c1
InChIInChI=1S/C13H13N3OS2/c1-3-10(18-7-1)13(11-4-2-8-19-11)14-6-5-12-15-9-17-16-12/h1-4,7-9,13-14H,5-6H2
InChIKeyILPQVHUXFNCBNO-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylimidazol-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106392338
1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395540
N-(dithiophen-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43776491
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 114183507
1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396498
N-(dicyclopropylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395342
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-2-amine
CID 106400522
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395346
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106396467
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106395635) is N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine is c1csc(C(NCCc2ncon2)c2cccs2)c1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is ILPQVHUXFNCBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-3-10(18-7-1)13(11-4-2-8-19-11)14-6-5-12-15-9-17-16-12/h1-4,7-9,13-14H,5-6H2.
What are the key properties of N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 291.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106395635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).