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

C13H10N4O2S2 — CID 73168848

IUPAC2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESO=C(c1ccc2nsnc2c1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C13H10N4O2S2/c18-12(8-1-2-10-11(5-8)16-21-15-10)17-6-9(7-17)19-13-14-3-4-20-13/h1-5,9H,6-7H2
InChIKeyNSVARZUFWPINBI-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.05
Rot. Bonds3

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

2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (PubChem CID 73168848) has the molecular formula C13H10N4O2S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
PubChem CID73168848
Molecular FormulaC13H10N4O2S2
Molecular Weight318.38 g/mol
Exact Mass318.02
IUPAC Name2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESO=C(c1ccc2nsnc2c1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C13H10N4O2S2/c18-12(8-1-2-10-11(5-8)16-21-15-10)17-6-9(7-17)19-13-14-3-4-20-13/h1-5,9H,6-7H2
InChIKeyNSVARZUFWPINBI-UHFFFAOYSA-N
XLogP2.05
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The IUPAC name of 2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (CID 73168848) is 2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.
What is the SMILES notation for 2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The canonical SMILES for 2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is O=C(c1ccc2nsnc2c1)N1CC(Oc2nccs2)C1.
What is the InChIKey of 2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The InChIKey is NSVARZUFWPINBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S2/c18-12(8-1-2-10-11(5-8)16-21-15-10)17-6-9(7-17)19-13-14-3-4-20-13/h1-5,9H,6-7H2.
What are the key properties of 2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone has a molecular weight of 318.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazol-5-yl-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is sourced from PubChem (CID 73168848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).