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

C14H16N4OS — CID 81146383

IUPAC2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C14H16N4OS/c1-3-8(2)12(15)14-17-13(18-19-14)9-6-11-10(16-7-9)4-5-20-11/h4-8,12H,3,15H2,1-2H3
InChIKeyJKXSTDMDNQOBBS-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.39
Rot. Bonds4

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

2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 81146383) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID81146383
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C14H16N4OS/c1-3-8(2)12(15)14-17-13(18-19-14)9-6-11-10(16-7-9)4-5-20-11/h4-8,12H,3,15H2,1-2H3
InChIKeyJKXSTDMDNQOBBS-UHFFFAOYSA-N
XLogP3.39
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(diethoxymethyl)-3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazole
CID 81146984
3-methoxy-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 81147073
(2R)-2-amino-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915885
1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81147332
cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 81146654
2-methyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43627786
(1S,2S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 29047795
4-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 81143737
(1S)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104900102
3-methyl-4-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106526020
2-methyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 62715364
2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43622133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 81146383) is 2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCC(C)C(N)c1nc(-c2cnc3ccsc3c2)no1.
What is the InChIKey of 2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is JKXSTDMDNQOBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-8(2)12(15)14-17-13(18-19-14)9-6-11-10(16-7-9)4-5-20-11/h4-8,12H,3,15H2,1-2H3.
What are the key properties of 2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 288.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 81146383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).