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

C11H12N2OS — CID 84685931

IUPAC4-pyrrolidin-3-yloxy-1,2-benzothiazole
SMILESc1cc(OC2CCNC2)c2cnsc2c1
InChIInChI=1S/C11H12N2OS/c1-2-10(14-8-4-5-12-6-8)9-7-13-15-11(9)3-1/h1-3,7-8,12H,4-6H2
InChIKeyXUWOGRFDPVODAE-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.04
Rot. Bonds2

About 4-pyrrolidin-3-yloxy-1,2-benzothiazole

4-pyrrolidin-3-yloxy-1,2-benzothiazole (PubChem CID 84685931) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-pyrrolidin-3-yloxy-1,2-benzothiazole.

Molecular Properties

Compound Name4-pyrrolidin-3-yloxy-1,2-benzothiazole
PubChem CID84685931
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-pyrrolidin-3-yloxy-1,2-benzothiazole
SMILESc1cc(OC2CCNC2)c2cnsc2c1
InChIInChI=1S/C11H12N2OS/c1-2-10(14-8-4-5-12-6-8)9-7-13-15-11(9)3-1/h1-3,7-8,12H,4-6H2
InChIKeyXUWOGRFDPVODAE-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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Related Compounds

3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
5-pyrrolidin-3-yloxy-1,2-benzothiazole
CID 84685930
3-[(3-methyl-1-benzothiophen-4-yl)oxy]pyrrolidine
CID 84697002
(3S)-3-(2,3-difluorophenoxy)pyrrolidine
CID 94987117
2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole
CID 82190228
3-chloro-4-pyrrolidin-3-yloxypyridine
CID 79840362
2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride
CID 56831277
3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 70102226
3-[(3R)-piperidin-3-yl]oxy-1,2-benzothiazole
CID 71637350
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
CID 26191920
3-(3,4-dihydro-2H-thiochromen-5-yloxy)pyrrolidine
CID 84699011
(3R)-3-(2-ethoxyphenoxy)pyrrolidine
CID 26191976

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yloxy-1,2-benzothiazole?
The IUPAC name of 4-pyrrolidin-3-yloxy-1,2-benzothiazole (CID 84685931) is 4-pyrrolidin-3-yloxy-1,2-benzothiazole.
What is the SMILES notation for 4-pyrrolidin-3-yloxy-1,2-benzothiazole?
The canonical SMILES for 4-pyrrolidin-3-yloxy-1,2-benzothiazole is c1cc(OC2CCNC2)c2cnsc2c1.
What is the InChIKey of 4-pyrrolidin-3-yloxy-1,2-benzothiazole?
The InChIKey is XUWOGRFDPVODAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-10(14-8-4-5-12-6-8)9-7-13-15-11(9)3-1/h1-3,7-8,12H,4-6H2.
What are the key properties of 4-pyrrolidin-3-yloxy-1,2-benzothiazole?
4-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 4-pyrrolidin-3-yloxy-1,2-benzothiazole is sourced from PubChem (CID 84685931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).