5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide

C18H13FN6O4S2 — CID 78110696

IUPAC5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide
SMILESCC(c1cccc2cncn12)n1c(=O)oc2cc(S(=O)(=O)Nc3ncns3)c(F)cc21
InChIInChI=1S/C18H13FN6O4S2/c1-10(13-4-2-3-11-7-20-9-24(11)13)25-14-5-12(19)16(6-15(14)29-18(25)26)31(27,28)23-17-21-8-22-30-17/h2-10H,1H3,(H,21,22,23)
InChIKeyXTUYKJIMMAAQJI-UHFFFAOYSA-N
MW460.47 g/mol
LogP2.64
Rot. Bonds5

About 5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide

5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 78110696) has the molecular formula C18H13FN6O4S2 and a molecular weight of 460.47 g/mol. Its IUPAC name is 5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide
PubChem CID78110696
Molecular FormulaC18H13FN6O4S2
Molecular Weight460.47 g/mol
Exact Mass460.04
IUPAC Name5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide
SMILESCC(c1cccc2cncn12)n1c(=O)oc2cc(S(=O)(=O)Nc3ncns3)c(F)cc21
InChIInChI=1S/C18H13FN6O4S2/c1-10(13-4-2-3-11-7-20-9-24(11)13)25-14-5-12(19)16(6-15(14)29-18(25)26)31(27,28)23-17-21-8-22-30-17/h2-10H,1H3,(H,21,22,23)
InChIKeyXTUYKJIMMAAQJI-UHFFFAOYSA-N
XLogP2.64
TPSA124.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide (CID 78110696) is 5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide is CC(c1cccc2cncn12)n1c(=O)oc2cc(S(=O)(=O)Nc3ncns3)c(F)cc21.
What is the InChIKey of 5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is XTUYKJIMMAAQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O4S2/c1-10(13-4-2-3-11-7-20-9-24(11)13)25-14-5-12(19)16(6-15(14)29-18(25)26)31(27,28)23-17-21-8-22-30-17/h2-10H,1H3,(H,21,22,23).
What are the key properties of 5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide?
5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 460.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-imidazo[1,5-a]pyridin-5-ylethyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 78110696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).