5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one

C16H15NOS — CID 12629212

IUPAC5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one
SMILESO=C1CCSc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C16H15NOS/c18-16-10-11-19-15-9-5-4-8-14(15)17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeySZCPFKAKAAZJDH-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.72
Rot. Bonds2

About 5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one

5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one (PubChem CID 12629212) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one.

Molecular Properties

Compound Name5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one
PubChem CID12629212
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one
SMILESO=C1CCSc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C16H15NOS/c18-16-10-11-19-15-9-5-4-8-14(15)17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeySZCPFKAKAAZJDH-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one?
The IUPAC name of 5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one (CID 12629212) is 5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one.
What is the SMILES notation for 5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one?
The canonical SMILES for 5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one is O=C1CCSc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one?
The InChIKey is SZCPFKAKAAZJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c18-16-10-11-19-15-9-5-4-8-14(15)17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of 5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one?
5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one has a molecular weight of 269.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,3-dihydro-1,5-benzothiazepin-4-one is sourced from PubChem (CID 12629212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).