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

C13H12N4OS — CID 81146654

IUPACcyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNC(c1nc(-c2cnc3ccsc3c2)no1)C1CC1
InChIInChI=1S/C13H12N4OS/c14-11(7-1-2-7)13-16-12(17-18-13)8-5-10-9(15-6-8)3-4-19-10/h3-7,11H,1-2,14H2
InChIKeyQODMWUMPIOVQDI-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.76
Rot. Bonds3

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

cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 81146654) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID81146654
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Namecyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNC(c1nc(-c2cnc3ccsc3c2)no1)C1CC1
InChIInChI=1S/C13H12N4OS/c14-11(7-1-2-7)13-16-12(17-18-13)8-5-10-9(15-6-8)3-4-19-10/h3-7,11H,1-2,14H2
InChIKeyQODMWUMPIOVQDI-UHFFFAOYSA-N
XLogP2.76
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(2R)-2-amino-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915885
2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 81146383
3-methoxy-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 81147073
1-cyclopropyl-N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81147622
5-(diethoxymethyl)-3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazole
CID 81146984
1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81147332
3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474611
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 81147334
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436533
cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 62696512
N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81148400
4-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 81143737

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 81146654) is cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine is NC(c1nc(-c2cnc3ccsc3c2)no1)C1CC1.
What is the InChIKey of cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is QODMWUMPIOVQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c14-11(7-1-2-7)13-16-12(17-18-13)8-5-10-9(15-6-8)3-4-19-10/h3-7,11H,1-2,14H2.
What are the key properties of cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine?
cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 272.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 81146654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).