2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole

C19H16N4OS — CID 90047641

IUPAC2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc3nc(Cc4nnc(C5CNC5)o4)sc3c2)cc1
InChIInChI=1S/C19H16N4OS/c1-2-4-12(5-3-1)13-6-7-15-16(8-13)25-18(21-15)9-17-22-23-19(24-17)14-10-20-11-14/h1-8,14,20H,9-11H2
InChIKeyUQHWCWJNHDYMFN-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.62
Rot. Bonds4

About 2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole

2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole (PubChem CID 90047641) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole
PubChem CID90047641
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc3nc(Cc4nnc(C5CNC5)o4)sc3c2)cc1
InChIInChI=1S/C19H16N4OS/c1-2-4-12(5-3-1)13-6-7-15-16(8-13)25-18(21-15)9-17-22-23-19(24-17)14-10-20-11-14/h1-8,14,20H,9-11H2
InChIKeyUQHWCWJNHDYMFN-UHFFFAOYSA-N
XLogP3.62
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole (CID 90047641) is 2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole is c1ccc(-c2ccc3nc(Cc4nnc(C5CNC5)o4)sc3c2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is UQHWCWJNHDYMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-2-4-12(5-3-1)13-6-7-15-16(8-13)25-18(21-15)9-17-22-23-19(24-17)14-10-20-11-14/h1-8,14,20H,9-11H2.
What are the key properties of 2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 348.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 90047641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).