6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one

C23H18FN5O2S — CID 122656242

IUPAC6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)cc2s1
InChIInChI=1S/C23H18FN5O2S/c24-16-4-1-14(2-5-16)19-20(15-3-6-17-18(13-15)32-23(30)26-17)29-8-7-25-21(22(29)27-19)28-9-11-31-12-10-28/h1-8,13H,9-12H2,(H,26,30)
InChIKeyUCUCEYHJSPWSPI-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.94
Rot. Bonds3

About 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one

6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one (PubChem CID 122656242) has the molecular formula C23H18FN5O2S and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one
PubChem CID122656242
Molecular FormulaC23H18FN5O2S
Molecular Weight447.50 g/mol
Exact Mass447.12
IUPAC Name6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)cc2s1
InChIInChI=1S/C23H18FN5O2S/c24-16-4-1-14(2-5-16)19-20(15-3-6-17-18(13-15)32-23(30)26-17)29-8-7-25-21(22(29)27-19)28-9-11-31-12-10-28/h1-8,13H,9-12H2,(H,26,30)
InChIKeyUCUCEYHJSPWSPI-UHFFFAOYSA-N
XLogP3.94
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one (CID 122656242) is 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one is O=c1[nH]c2ccc(-c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)cc2s1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one?
The InChIKey is UCUCEYHJSPWSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2S/c24-16-4-1-14(2-5-16)19-20(15-3-6-17-18(13-15)32-23(30)26-17)29-8-7-25-21(22(29)27-19)28-9-11-31-12-10-28/h1-8,13H,9-12H2,(H,26,30).
What are the key properties of 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one?
6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one has a molecular weight of 447.50 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 122656242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).