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

C10H11NOS — CID 12629211

IUPAC5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
SMILESCN1C(=O)CCSc2ccccc21
InChIInChI=1S/C10H11NOS/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12/h2-5H,6-7H2,1H3
InChIKeySWLPEEUPLOKPNS-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.15
Rot. Bonds

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

5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one (PubChem CID 12629211) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
PubChem CID12629211
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
SMILESCN1C(=O)CCSc2ccccc21
InChIInChI=1S/C10H11NOS/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12/h2-5H,6-7H2,1H3
InChIKeySWLPEEUPLOKPNS-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one 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 5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one?
The IUPAC name of 5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one (CID 12629211) is 5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one?
The canonical SMILES for 5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one is CN1C(=O)CCSc2ccccc21.
What is the InChIKey of 5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one?
The InChIKey is SWLPEEUPLOKPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12/h2-5H,6-7H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one?
5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one has a molecular weight of 193.27 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one is sourced from PubChem (CID 12629211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).