N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

C11H15N3OS — CID 103766109

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1cc(CNCCc2ncno2)c(C)s1
InChIInChI=1S/C11H15N3OS/c1-8-5-10(9(2)16-8)6-12-4-3-11-13-7-14-15-11/h5,7,12H,3-4,6H2,1-2H3
InChIKeySCNHUCZIUJDRPO-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.08
Rot. Bonds5

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

N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 103766109) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID103766109
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1cc(CNCCc2ncno2)c(C)s1
InChIInChI=1S/C11H15N3OS/c1-8-5-10(9(2)16-8)6-12-4-3-11-13-7-14-15-11/h5,7,12H,3-4,6H2,1-2H3
InChIKeySCNHUCZIUJDRPO-UHFFFAOYSA-N
XLogP2.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 103766109) is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is Cc1cc(CNCCc2ncno2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is SCNHUCZIUJDRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8-5-10(9(2)16-8)6-12-4-3-11-13-7-14-15-11/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 237.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 103766109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).