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

C15H17F3N4O2S — CID 166109435

IUPAC2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCC(C)NCC(=O)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C15H17F3N4O2S/c1-8(2)19-6-12(23)22-4-3-10-9(7-22)5-11(25-10)13-20-14(24-21-13)15(16,17)18/h5,8,19H,3-4,6-7H2,1-2H3
InChIKeyADJKSMUGDGIFMP-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.70
Rot. Bonds4

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

2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 166109435) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID166109435
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC Name2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCC(C)NCC(=O)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1
InChIInChI=1S/C15H17F3N4O2S/c1-8(2)19-6-12(23)22-4-3-10-9(7-22)5-11(25-10)13-20-14(24-21-13)15(16,17)18/h5,8,19H,3-4,6-7H2,1-2H3
InChIKeyADJKSMUGDGIFMP-UHFFFAOYSA-N
XLogP2.70
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 166109435) is 2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is CC(C)NCC(=O)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1.
What is the InChIKey of 2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is ADJKSMUGDGIFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c1-8(2)19-6-12(23)22-4-3-10-9(7-22)5-11(25-10)13-20-14(24-21-13)15(16,17)18/h5,8,19H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 374.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 166109435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).