11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

C21H14N2OS — CID 3152568

IUPAC11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESO=C1C2=C(Nc3ccccc3SC2c2cccnc2)c2ccccc21
InChIInChI=1S/C21H14N2OS/c24-20-15-8-2-1-7-14(15)19-18(20)21(13-6-5-11-22-12-13)25-17-10-4-3-9-16(17)23-19/h1-12,21,23H
InChIKeyRJQDJLBFYHEVGX-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.95
Rot. Bonds1

About 11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (PubChem CID 3152568) has the molecular formula C21H14N2OS and a molecular weight of 342.42 g/mol. Its IUPAC name is 11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.

Molecular Properties

Compound Name11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
PubChem CID3152568
Molecular FormulaC21H14N2OS
Molecular Weight342.42 g/mol
Exact Mass342.08
IUPAC Name11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESO=C1C2=C(Nc3ccccc3SC2c2cccnc2)c2ccccc21
InChIInChI=1S/C21H14N2OS/c24-20-15-8-2-1-7-14(15)19-18(20)21(13-6-5-11-22-12-13)25-17-10-4-3-9-16(17)23-19/h1-12,21,23H
InChIKeyRJQDJLBFYHEVGX-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The IUPAC name of 11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (CID 3152568) is 11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.
What is the SMILES notation for 11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The canonical SMILES for 11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is O=C1C2=C(Nc3ccccc3SC2c2cccnc2)c2ccccc21.
What is the InChIKey of 11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The InChIKey is RJQDJLBFYHEVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2OS/c24-20-15-8-2-1-7-14(15)19-18(20)21(13-6-5-11-22-12-13)25-17-10-4-3-9-16(17)23-19/h1-12,21,23H.
What are the key properties of 11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one has a molecular weight of 342.42 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is sourced from PubChem (CID 3152568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).