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

C13H17N3O2S2 — CID 104633885

IUPAC1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
SMILESCCOCC(N)c1noc(-c2cc3c(s2)CCSC3)n1
InChIInChI=1S/C13H17N3O2S2/c1-2-17-6-9(14)12-15-13(18-16-12)11-5-8-7-19-4-3-10(8)20-11/h5,9H,2-4,6-7,14H2,1H3
InChIKeyUVLAGQBQMLSIAF-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.62
Rot. Bonds5

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

1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine (PubChem CID 104633885) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine.

Molecular Properties

Compound Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
PubChem CID104633885
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
SMILESCCOCC(N)c1noc(-c2cc3c(s2)CCSC3)n1
InChIInChI=1S/C13H17N3O2S2/c1-2-17-6-9(14)12-15-13(18-16-12)11-5-8-7-19-4-3-10(8)20-11/h5,9H,2-4,6-7,14H2,1H3
InChIKeyUVLAGQBQMLSIAF-UHFFFAOYSA-N
XLogP2.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine with MolForge

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Related Compounds

2-propoxy-1-[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634285
3-(1-chloroethyl)-5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazole
CID 102661076
cyclopropyl-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 81261776
1-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 104634129
2-ethoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634109
N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 81261069
2-ethoxy-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435421
2-ethoxy-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633935
2-ethoxy-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104639551
3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-5-amine
CID 81261470
1-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 114375359
2-methyl-1-[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61324210

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine?
The IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine (CID 104633885) is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine.
What is the SMILES notation for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine?
The canonical SMILES for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine is CCOCC(N)c1noc(-c2cc3c(s2)CCSC3)n1.
What is the InChIKey of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine?
The InChIKey is UVLAGQBQMLSIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-2-17-6-9(14)12-15-13(18-16-12)11-5-8-7-19-4-3-10(8)20-11/h5,9H,2-4,6-7,14H2,1H3.
What are the key properties of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine?
1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine has a molecular weight of 311.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine is sourced from PubChem (CID 104633885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).