1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one

C17H15F3N2OS2 — CID 1272770

IUPAC1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3
InChIKeyKYYHYCQDJPMGQP-UHFFFAOYSA-N
MW384.45 g/mol
LogP5.85
Rot. Bonds2

About 1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one

1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 1272770) has the molecular formula C17H15F3N2OS2 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID1272770
Molecular FormulaC17H15F3N2OS2
Molecular Weight384.45 g/mol
Exact Mass384.06
IUPAC Name1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3
InChIKeyKYYHYCQDJPMGQP-UHFFFAOYSA-N
XLogP5.85
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one (CID 1272770) is 1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KYYHYCQDJPMGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3.
What are the key properties of 1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?
1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 384.45 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 1272770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).