2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide

C20H12F2N6O2S2 — CID 67447511

IUPAC2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2nn3cc(-c4ccncc4)nc3s2)c1)c1ccc(F)cc1F
InChIInChI=1S/C20H12F2N6O2S2/c21-14-1-2-18(16(22)8-14)32(29,30)27-15-7-13(9-24-10-15)19-26-28-11-17(25-20(28)31-19)12-3-5-23-6-4-12/h1-11,27H
InChIKeyOTACMJMAIPMTFE-UHFFFAOYSA-N
MW470.49 g/mol
LogP3.99
Rot. Bonds5

About 2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 67447511) has the molecular formula C20H12F2N6O2S2 and a molecular weight of 470.49 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID67447511
Molecular FormulaC20H12F2N6O2S2
Molecular Weight470.49 g/mol
Exact Mass470.04
IUPAC Name2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2nn3cc(-c4ccncc4)nc3s2)c1)c1ccc(F)cc1F
InChIInChI=1S/C20H12F2N6O2S2/c21-14-1-2-18(16(22)8-14)32(29,30)27-15-7-13(9-24-10-15)19-26-28-11-17(25-20(28)31-19)12-3-5-23-6-4-12/h1-11,27H
InChIKeyOTACMJMAIPMTFE-UHFFFAOYSA-N
XLogP3.99
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide (CID 67447511) is 2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2nn3cc(-c4ccncc4)nc3s2)c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is OTACMJMAIPMTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N6O2S2/c21-14-1-2-18(16(22)8-14)32(29,30)27-15-7-13(9-24-10-15)19-26-28-11-17(25-20(28)31-19)12-3-5-23-6-4-12/h1-11,27H.
What are the key properties of 2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 470.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-(6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 67447511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).