5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine

C14H16N4OS — CID 81147334

IUPAC5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESNCCCCCc1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C14H16N4OS/c15-6-3-1-2-4-13-17-14(18-19-13)10-8-12-11(16-9-10)5-7-20-12/h5,7-9H,1-4,6,15H2
InChIKeyALBDJCAOXKCKNE-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.02
Rot. Bonds6

About 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine

5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine (PubChem CID 81147334) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
PubChem CID81147334
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESNCCCCCc1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C14H16N4OS/c15-6-3-1-2-4-13-17-14(18-19-13)10-8-12-11(16-9-10)5-7-20-12/h5,7-9H,1-4,6,15H2
InChIKeyALBDJCAOXKCKNE-UHFFFAOYSA-N
XLogP3.02
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 81143737
1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81147332
(2R)-2-amino-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915885
2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 81147965
3-methyl-4-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106526020
N-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 81147624
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251
1-cyclopropyl-N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81147622
2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 81146383
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107
N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81148400
5-(diethoxymethyl)-3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazole
CID 81146984

Frequently Asked Questions

What is the IUPAC name of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The IUPAC name of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine (CID 81147334) is 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine is NCCCCCc1nc(-c2cnc3ccsc3c2)no1.
What is the InChIKey of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The InChIKey is ALBDJCAOXKCKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-6-3-1-2-4-13-17-14(18-19-13)10-8-12-11(16-9-10)5-7-20-12/h5,7-9H,1-4,6,15H2.
What are the key properties of 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine has a molecular weight of 288.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 81147334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).