[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

C17H14F3N3O2S2 — CID 1157653

IUPAC[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C17H14F3N3O2S2/c18-17(19,20)9-8-10(11-2-1-7-26-11)22-15-12(9)13(21)14(27-15)16(24)23-3-5-25-6-4-23/h1-2,7-8H,3-6,21H2
InChIKeyGSDLUULWVBHPMS-UHFFFAOYSA-N
MW413.45 g/mol
LogP4.10
Rot. Bonds2

About [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 1157653) has the molecular formula C17H14F3N3O2S2 and a molecular weight of 413.45 g/mol. Its IUPAC name is [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID1157653
Molecular FormulaC17H14F3N3O2S2
Molecular Weight413.45 g/mol
Exact Mass413.05
IUPAC Name[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C17H14F3N3O2S2/c18-17(19,20)9-8-10(11-2-1-7-26-11)22-15-12(9)13(21)14(27-15)16(24)23-3-5-25-6-4-23/h1-2,7-8H,3-6,21H2
InChIKeyGSDLUULWVBHPMS-UHFFFAOYSA-N
XLogP4.10
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone (CID 1157653) is [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone is Nc1c(C(=O)N2CCOCC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GSDLUULWVBHPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S2/c18-17(19,20)9-8-10(11-2-1-7-26-11)22-15-12(9)13(21)14(27-15)16(24)23-3-5-25-6-4-23/h1-2,7-8H,3-6,21H2.
What are the key properties of [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 413.45 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1157653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).