3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

C15H13NO2S — CID 3242458

IUPAC3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILESO=C1Nc2ccccc2SC(c2ccccc2)C1O
InChIInChI=1S/C15H13NO2S/c17-13-14(10-6-2-1-3-7-10)19-12-9-5-4-8-11(12)16-15(13)18/h1-9,13-14,17H,(H,16,18)
InChIKeyZUOHMTWRFCETKE-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.83
Rot. Bonds1

About 3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one (PubChem CID 3242458) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
PubChem CID3242458
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILESO=C1Nc2ccccc2SC(c2ccccc2)C1O
InChIInChI=1S/C15H13NO2S/c17-13-14(10-6-2-1-3-7-10)19-12-9-5-4-8-11(12)16-15(13)18/h1-9,13-14,17H,(H,16,18)
InChIKeyZUOHMTWRFCETKE-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The IUPAC name of 3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one (CID 3242458) is 3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
What is the SMILES notation for 3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The canonical SMILES for 3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is O=C1Nc2ccccc2SC(c2ccccc2)C1O.
What is the InChIKey of 3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The InChIKey is ZUOHMTWRFCETKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-13-14(10-6-2-1-3-7-10)19-12-9-5-4-8-11(12)16-15(13)18/h1-9,13-14,17H,(H,16,18).
What are the key properties of 3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one has a molecular weight of 271.34 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is sourced from PubChem (CID 3242458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).