1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C11H14N4OS — CID 106967755

IUPAC1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(N2CCc3sccc3C2)o1
InChIInChI=1S/C11H14N4OS/c1-7(12)10-13-14-11(16-10)15-4-2-9-8(6-15)3-5-17-9/h3,5,7H,2,4,6,12H2,1H3
InChIKeySPUKKXJVBWWIII-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.71
Rot. Bonds2

About 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine

1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106967755) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106967755
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(N2CCc3sccc3C2)o1
InChIInChI=1S/C11H14N4OS/c1-7(12)10-13-14-11(16-10)15-4-2-9-8(6-15)3-5-17-9/h3,5,7H,2,4,6,12H2,1H3
InChIKeySPUKKXJVBWWIII-UHFFFAOYSA-N
XLogP1.71
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71925337
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide
CID 81060692
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 28889917
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline
CID 83002365
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62753320
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 113423014
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine
CID 43105459
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
CID 103362170
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
CID 62588261
5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62868181
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1H-1,2,4-triazol-5-amine
CID 66276232

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106967755) is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(N2CCc3sccc3C2)o1.
What is the InChIKey of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is SPUKKXJVBWWIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7(12)10-13-14-11(16-10)15-4-2-9-8(6-15)3-5-17-9/h3,5,7H,2,4,6,12H2,1H3.
What are the key properties of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 250.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106967755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).