5-pyrrolidin-3-yloxy-1,2-benzothiazole

C11H12N2OS — CID 84685930

IUPAC5-pyrrolidin-3-yloxy-1,2-benzothiazole
SMILESc1cc2sncc2cc1OC1CCNC1
InChIInChI=1S/C11H12N2OS/c1-2-11-8(6-13-15-11)5-9(1)14-10-3-4-12-7-10/h1-2,5-6,10,12H,3-4,7H2
InChIKeyGSBPSXXFHFCUKF-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.04
Rot. Bonds2

About 5-pyrrolidin-3-yloxy-1,2-benzothiazole

5-pyrrolidin-3-yloxy-1,2-benzothiazole (PubChem CID 84685930) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-pyrrolidin-3-yloxy-1,2-benzothiazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yloxy-1,2-benzothiazole
PubChem CID84685930
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-pyrrolidin-3-yloxy-1,2-benzothiazole
SMILESc1cc2sncc2cc1OC1CCNC1
InChIInChI=1S/C11H12N2OS/c1-2-11-8(6-13-15-11)5-9(1)14-10-3-4-12-7-10/h1-2,5-6,10,12H,3-4,7H2
InChIKeyGSBPSXXFHFCUKF-UHFFFAOYSA-N
XLogP2.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yloxy-1,2-benzothiazole?
The IUPAC name of 5-pyrrolidin-3-yloxy-1,2-benzothiazole (CID 84685930) is 5-pyrrolidin-3-yloxy-1,2-benzothiazole.
What is the SMILES notation for 5-pyrrolidin-3-yloxy-1,2-benzothiazole?
The canonical SMILES for 5-pyrrolidin-3-yloxy-1,2-benzothiazole is c1cc2sncc2cc1OC1CCNC1.
What is the InChIKey of 5-pyrrolidin-3-yloxy-1,2-benzothiazole?
The InChIKey is GSBPSXXFHFCUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-11-8(6-13-15-11)5-9(1)14-10-3-4-12-7-10/h1-2,5-6,10,12H,3-4,7H2.
What are the key properties of 5-pyrrolidin-3-yloxy-1,2-benzothiazole?
5-pyrrolidin-3-yloxy-1,2-benzothiazole has a molecular weight of 220.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yloxy-1,2-benzothiazole is sourced from PubChem (CID 84685930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).