2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole

C14H16N2O4S2 — CID 71796353

IUPAC2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2sc(OC3CN(S(=O)(=O)C4CC4)C3)nc12
InChIInChI=1S/C14H16N2O4S2/c1-19-11-3-2-4-12-13(11)15-14(21-12)20-9-7-16(8-9)22(17,18)10-5-6-10/h2-4,9-10H,5-8H2,1H3
InChIKeyROYUHLSGZTXDMV-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.86
Rot. Bonds5

About 2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole

2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole (PubChem CID 71796353) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole
PubChem CID71796353
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2sc(OC3CN(S(=O)(=O)C4CC4)C3)nc12
InChIInChI=1S/C14H16N2O4S2/c1-19-11-3-2-4-12-13(11)15-14(21-12)20-9-7-16(8-9)22(17,18)10-5-6-10/h2-4,9-10H,5-8H2,1H3
InChIKeyROYUHLSGZTXDMV-UHFFFAOYSA-N
XLogP1.86
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole?
The IUPAC name of 2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole (CID 71796353) is 2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole is COc1cccc2sc(OC3CN(S(=O)(=O)C4CC4)C3)nc12.
What is the InChIKey of 2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole?
The InChIKey is ROYUHLSGZTXDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-19-11-3-2-4-12-13(11)15-14(21-12)20-9-7-16(8-9)22(17,18)10-5-6-10/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole?
2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole has a molecular weight of 340.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 71796353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).