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

C12H12N4OS — CID 81147332

IUPAC1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(N)Cc1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C12H12N4OS/c1-7(13)4-11-15-12(16-17-11)8-5-10-9(14-6-8)2-3-18-10/h2-3,5-7H,4,13H2,1H3
InChIKeyZTFJIJPCFDKAJE-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.24
Rot. Bonds3

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

1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 81147332) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID81147332
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(N)Cc1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C12H12N4OS/c1-7(13)4-11-15-12(16-17-11)8-5-10-9(14-6-8)2-3-18-10/h2-3,5-7H,4,13H2,1H3
InChIKeyZTFJIJPCFDKAJE-UHFFFAOYSA-N
XLogP2.24
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-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
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
2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 81146383
1-cyclopropyl-N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81147622
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 81147334
(2R)-2-amino-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915885
3-methoxy-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 81147073
5-(diethoxymethyl)-3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazole
CID 81146984
cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 81146654
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 81147965

Frequently Asked Questions

What is the IUPAC name of 1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 81147332) is 1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CC(N)Cc1nc(-c2cnc3ccsc3c2)no1.
What is the InChIKey of 1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is ZTFJIJPCFDKAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7(13)4-11-15-12(16-17-11)8-5-10-9(14-6-8)2-3-18-10/h2-3,5-7H,4,13H2,1H3.
What are the key properties of 1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 260.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 81147332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).