4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid

C28H24F4N6O5S4 — CID 25099771

IUPAC4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N1CCC(c2csc(Nc3ncc(Sc4ccnc5ccsc45)cc3Oc3ccc(F)cc3)n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H23FN6O3S4.C2HF3O2/c27-17-1-3-18(4-2-17)36-22-13-19(39-23-5-9-29-20-8-12-37-24(20)23)14-30-25(22)32-26-31-21(15-38-26)16-6-10-33(11-7-16)40(28,34)35;3-2(4,5)1(6)7/h1-5,8-9,12-16H,6-7,10-11H2,(H2,28,34,35)(H,30,31,32);(H,6,7)
InChIKeyDMHWMUYEWXBDFL-UHFFFAOYSA-N
MW728.80 g/mol
LogP6.99
Rot. Bonds8

About 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid

4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 25099771) has the molecular formula C28H24F4N6O5S4 and a molecular weight of 728.80 g/mol. Its IUPAC name is 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID25099771
Molecular FormulaC28H24F4N6O5S4
Molecular Weight728.80 g/mol
Exact Mass728.06
IUPAC Name4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N1CCC(c2csc(Nc3ncc(Sc4ccnc5ccsc45)cc3Oc3ccc(F)cc3)n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H23FN6O3S4.C2HF3O2/c27-17-1-3-18(4-2-17)36-22-13-19(39-23-5-9-29-20-8-12-37-24(20)23)14-30-25(22)32-26-31-21(15-38-26)16-6-10-33(11-7-16)40(28,34)35;3-2(4,5)1(6)7/h1-5,8-9,12-16H,6-7,10-11H2,(H2,28,34,35)(H,30,31,32);(H,6,7)
InChIKeyDMHWMUYEWXBDFL-UHFFFAOYSA-N
XLogP6.99
TPSA160.63 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500728.80
LogP ≤ 56.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 25099771) is 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)N1CCC(c2csc(Nc3ncc(Sc4ccnc5ccsc45)cc3Oc3ccc(F)cc3)n2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is DMHWMUYEWXBDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3S4.C2HF3O2/c27-17-1-3-18(4-2-17)36-22-13-19(39-23-5-9-29-20-8-12-37-24(20)23)14-30-25(22)32-26-31-21(15-38-26)16-6-10-33(11-7-16)40(28,34)35;3-2(4,5)1(6)7/h1-5,8-9,12-16H,6-7,10-11H2,(H2,28,34,35)(H,30,31,32);(H,6,7).
What are the key properties of 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 728.80 g/mol, XLogP of 6.99, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(4-fluorophenoxy)-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25099771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).