3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine

C10H8F3N3O2S — CID 118158529

IUPAC3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine
SMILESNc1sc2c(c1-c1nc(C(F)(F)F)no1)CCOC2
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)9-15-8(18-16-9)6-4-1-2-17-3-5(4)19-7(6)14/h1-3,14H2
InChIKeyNCAPHAOYFAMERJ-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.47
Rot. Bonds1

About 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine

3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine (PubChem CID 118158529) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine
PubChem CID118158529
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine
SMILESNc1sc2c(c1-c1nc(C(F)(F)F)no1)CCOC2
InChIInChI=1S/C10H8F3N3O2S/c11-10(12,13)9-15-8(18-16-9)6-4-1-2-17-3-5(4)19-7(6)14/h1-3,14H2
InChIKeyNCAPHAOYFAMERJ-UHFFFAOYSA-N
XLogP2.47
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine?
The IUPAC name of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine (CID 118158529) is 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine is Nc1sc2c(c1-c1nc(C(F)(F)F)no1)CCOC2.
What is the InChIKey of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine?
The InChIKey is NCAPHAOYFAMERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c11-10(12,13)9-15-8(18-16-9)6-4-1-2-17-3-5(4)19-7(6)14/h1-3,14H2.
What are the key properties of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine?
3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine has a molecular weight of 291.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-amine is sourced from PubChem (CID 118158529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).