2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C15H23N3OS — CID 63512884

IUPAC2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(N3CCC(N4CCCC4)C3)sc21
InChIInChI=1S/C15H23N3OS/c19-13-5-3-4-12-14(13)20-15(16-12)18-9-6-11(10-18)17-7-1-2-8-17/h11,13,19H,1-10H2
InChIKeyQUYVWXGJEFGSSR-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.19
Rot. Bonds2

About 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 63512884) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID63512884
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(N3CCC(N4CCCC4)C3)sc21
InChIInChI=1S/C15H23N3OS/c19-13-5-3-4-12-14(13)20-15(16-12)18-9-6-11(10-18)17-7-1-2-8-17/h11,13,19H,1-10H2
InChIKeyQUYVWXGJEFGSSR-UHFFFAOYSA-N
XLogP2.19
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 63512884) is 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is OC1CCCc2nc(N3CCC(N4CCCC4)C3)sc21.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is QUYVWXGJEFGSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c19-13-5-3-4-12-14(13)20-15(16-12)18-9-6-11(10-18)17-7-1-2-8-17/h11,13,19H,1-10H2.
What are the key properties of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 293.44 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 63512884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).