5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole

C23H17N5OS — CID 54670484

IUPAC5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole
SMILESc1ccc2nc(N3CC(Oc4nccnc4-c4ccc5scnc5c4)C3)ccc2c1
InChIInChI=1S/C23H17N5OS/c1-2-4-18-15(3-1)6-8-21(27-18)28-12-17(13-28)29-23-22(24-9-10-25-23)16-5-7-20-19(11-16)26-14-30-20/h1-11,14,17H,12-13H2
InChIKeyRFCZNMOBMVGUBS-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.57
Rot. Bonds4

About 5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole

5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole (PubChem CID 54670484) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole
PubChem CID54670484
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC Name5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole
SMILESc1ccc2nc(N3CC(Oc4nccnc4-c4ccc5scnc5c4)C3)ccc2c1
InChIInChI=1S/C23H17N5OS/c1-2-4-18-15(3-1)6-8-21(27-18)28-12-17(13-28)29-23-22(24-9-10-25-23)16-5-7-20-19(11-16)26-14-30-20/h1-11,14,17H,12-13H2
InChIKeyRFCZNMOBMVGUBS-UHFFFAOYSA-N
XLogP4.57
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole?
The IUPAC name of 5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole (CID 54670484) is 5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole is c1ccc2nc(N3CC(Oc4nccnc4-c4ccc5scnc5c4)C3)ccc2c1.
What is the InChIKey of 5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole?
The InChIKey is RFCZNMOBMVGUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c1-2-4-18-15(3-1)6-8-21(27-18)28-12-17(13-28)29-23-22(24-9-10-25-23)16-5-7-20-19(11-16)26-14-30-20/h1-11,14,17H,12-13H2.
What are the key properties of 5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole?
5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole has a molecular weight of 411.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 54670484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).