1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone

C21H15N3OS — CID 91624748

IUPAC1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1nc2ccccc2s1)N1CCc2cc(-c3ccncc3)ccc21
InChIInChI=1S/C21H15N3OS/c25-21(20-23-17-3-1-2-4-19(17)26-20)24-12-9-16-13-15(5-6-18(16)24)14-7-10-22-11-8-14/h1-8,10-11,13H,9,12H2
InChIKeyMIQJNJJZFXOFQD-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.56
Rot. Bonds2

About 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone

1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 91624748) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID91624748
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Name1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1nc2ccccc2s1)N1CCc2cc(-c3ccncc3)ccc21
InChIInChI=1S/C21H15N3OS/c25-21(20-23-17-3-1-2-4-19(17)26-20)24-12-9-16-13-15(5-6-18(16)24)14-7-10-22-11-8-14/h1-8,10-11,13H,9,12H2
InChIKeyMIQJNJJZFXOFQD-UHFFFAOYSA-N
XLogP4.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone (CID 91624748) is 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone is O=C(c1nc2ccccc2s1)N1CCc2cc(-c3ccncc3)ccc21.
What is the InChIKey of 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is MIQJNJJZFXOFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-21(20-23-17-3-1-2-4-19(17)26-20)24-12-9-16-13-15(5-6-18(16)24)14-7-10-22-11-8-14/h1-8,10-11,13H,9,12H2.
What are the key properties of 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 357.44 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 91624748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).