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

C10H13N3OS — CID 103744500

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1ccsc1CNCCc1ncno1
InChIInChI=1S/C10H13N3OS/c1-8-3-5-15-9(8)6-11-4-2-10-12-7-13-14-10/h3,5,7,11H,2,4,6H2,1H3
InChIKeyRORUXQQEJHCRJK-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.77
Rot. Bonds5

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

N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 103744500) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID103744500
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1ccsc1CNCCc1ncno1
InChIInChI=1S/C10H13N3OS/c1-8-3-5-15-9(8)6-11-4-2-10-12-7-13-14-10/h3,5,7,11H,2,4,6H2,1H3
InChIKeyRORUXQQEJHCRJK-UHFFFAOYSA-N
XLogP1.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.77
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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Related Compounds

2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103744486
N-[(3-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400057
N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103768738
2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115897921
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400351
N-[(3-methylthiophen-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64518387
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
N-(1H-imidazol-2-ylmethyl)-2-(3-methylthiophen-2-yl)ethanamine
CID 115897926
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103872079
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
N-[(3-methylthiophen-2-yl)methyl]-2-propylsulfanylethanamine
CID 62579245

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 103744500) is N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is Cc1ccsc1CNCCc1ncno1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is RORUXQQEJHCRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-8-3-5-15-9(8)6-11-4-2-10-12-7-13-14-10/h3,5,7,11H,2,4,6H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 223.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 103744500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).