2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol

C19H17N3OS — CID 51002653

IUPAC2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol
SMILESOc1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn12
InChIInChI=1S/C19H17N3OS/c23-15-7-8-17-18(11-15)24-19-20-16(12-22(17)19)13-3-5-14(6-4-13)21-9-1-2-10-21/h3-8,11-12,23H,1-2,9-10H2
InChIKeyHQMZHKLTRNSAEK-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.52
Rot. Bonds2

About 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol

2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol (PubChem CID 51002653) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol
PubChem CID51002653
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol
SMILESOc1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn12
InChIInChI=1S/C19H17N3OS/c23-15-7-8-17-18(11-15)24-19-20-16(12-22(17)19)13-3-5-14(6-4-13)21-9-1-2-10-21/h3-8,11-12,23H,1-2,9-10H2
InChIKeyHQMZHKLTRNSAEK-UHFFFAOYSA-N
XLogP4.52
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol?
The IUPAC name of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol (CID 51002653) is 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol?
The canonical SMILES for 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol is Oc1ccc2c(c1)sc1nc(-c3ccc(N4CCCC4)cc3)cn12.
What is the InChIKey of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol?
The InChIKey is HQMZHKLTRNSAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c23-15-7-8-17-18(11-15)24-19-20-16(12-22(17)19)13-3-5-14(6-4-13)21-9-1-2-10-21/h3-8,11-12,23H,1-2,9-10H2.
What are the key properties of 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol?
2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol has a molecular weight of 335.43 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol is sourced from PubChem (CID 51002653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).