3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole

C12H14N2OS — CID 97178424

IUPAC3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole
SMILESc1ccc2c(OC[C@H]3CCCN3)nsc2c1
InChIInChI=1S/C12H14N2OS/c1-2-6-11-10(5-1)12(14-16-11)15-8-9-4-3-7-13-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m1/s1
InChIKeyFJAZUVGGANTUSO-SECBINFHSA-N
MW234.32 g/mol
LogP2.43
Rot. Bonds3

About 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole

3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole (PubChem CID 97178424) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole.

Molecular Properties

Compound Name3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole
PubChem CID97178424
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole
SMILESc1ccc2c(OC[C@H]3CCCN3)nsc2c1
InChIInChI=1S/C12H14N2OS/c1-2-6-11-10(5-1)12(14-16-11)15-8-9-4-3-7-13-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m1/s1
InChIKeyFJAZUVGGANTUSO-SECBINFHSA-N
XLogP2.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole
CID 71636570
3-(2-piperidin-2-ylethoxy)-1,2-benzothiazole;hydrochloride
CID 71636569
3-(piperidin-4-ylmethoxy)-1,2-benzothiazole;hydrochloride
CID 71636976
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178372
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
3-(piperidin-2-ylmethoxy)-1,2-benzoxazole
CID 84726604
5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
CID 69004873
2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
CID 63738091
2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
CID 71636954
3-(fluoromethoxy)-1,2-benzothiazole
CID 139613345
2-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 117096153
3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridazine;hydrochloride
CID 167527179

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole?
The IUPAC name of 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole (CID 97178424) is 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole.
What is the SMILES notation for 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole?
The canonical SMILES for 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole is c1ccc2c(OC[C@H]3CCCN3)nsc2c1.
What is the InChIKey of 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole?
The InChIKey is FJAZUVGGANTUSO-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-6-11-10(5-1)12(14-16-11)15-8-9-4-3-7-13-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m1/s1.
What are the key properties of 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole?
3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole has a molecular weight of 234.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole is sourced from PubChem (CID 97178424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).