2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

C13H11N5O2S — CID 90627585

IUPAC2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C13H11N5O2S/c19-12(8-1-2-10-11(5-8)16-17-15-10)18-6-9(7-18)20-13-14-3-4-21-13/h1-5,9H,6-7H2,(H,15,16,17)
InChIKeyBYWRDHRRIINDGG-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.32
Rot. Bonds3

About 2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (PubChem CID 90627585) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
PubChem CID90627585
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C13H11N5O2S/c19-12(8-1-2-10-11(5-8)16-17-15-10)18-6-9(7-18)20-13-14-3-4-21-13/h1-5,9H,6-7H2,(H,15,16,17)
InChIKeyBYWRDHRRIINDGG-UHFFFAOYSA-N
XLogP1.32
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (CID 90627585) is 2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is O=C(c1ccc2n[nH]nc2c1)N1CC(Oc2nccs2)C1.
What is the InChIKey of 2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The InChIKey is BYWRDHRRIINDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c19-12(8-1-2-10-11(5-8)16-17-15-10)18-6-9(7-18)20-13-14-3-4-21-13/h1-5,9H,6-7H2,(H,15,16,17).
What are the key properties of 2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone has a molecular weight of 301.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is sourced from PubChem (CID 90627585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).