N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine

C14H14N4OS — CID 70739457

IUPACN-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C14H14N4OS/c1-18(8-11-4-7-20-10-11)9-13-16-14(17-19-13)12-2-5-15-6-3-12/h2-7,10H,8-9H2,1H3
InChIKeyDOANTHWCJZOQNL-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.83
Rot. Bonds5

About N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine

N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 70739457) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID70739457
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C14H14N4OS/c1-18(8-11-4-7-20-10-11)9-13-16-14(17-19-13)12-2-5-15-6-3-12/h2-7,10H,8-9H2,1H3
InChIKeyDOANTHWCJZOQNL-UHFFFAOYSA-N
XLogP2.83
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine (CID 70739457) is N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine is CN(Cc1ccsc1)Cc1nc(-c2ccncc2)no1.
What is the InChIKey of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is DOANTHWCJZOQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-18(8-11-4-7-20-10-11)9-13-16-14(17-19-13)12-2-5-15-6-3-12/h2-7,10H,8-9H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 286.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 70739457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).