imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C13H13N3OS — CID 6625296

IUPACimidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESCC1CN(C(=O)n2ccnc2)c2ccccc2S1
InChIInChI=1S/C13H13N3OS/c1-10-8-16(13(17)15-7-6-14-9-15)11-4-2-3-5-12(11)18-10/h2-7,9-10H,8H2,1H3
InChIKeySVZOTZSBDTUZBN-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.85
Rot. Bonds

About imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone

imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 6625296) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID6625296
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Nameimidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESCC1CN(C(=O)n2ccnc2)c2ccccc2S1
InChIInChI=1S/C13H13N3OS/c1-10-8-16(13(17)15-7-6-14-9-15)11-4-2-3-5-12(11)18-10/h2-7,9-10H,8H2,1H3
InChIKeySVZOTZSBDTUZBN-UHFFFAOYSA-N
XLogP2.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-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 imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 6625296) is imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone is CC1CN(C(=O)n2ccnc2)c2ccccc2S1.
What is the InChIKey of imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is SVZOTZSBDTUZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-10-8-16(13(17)15-7-6-14-9-15)11-4-2-3-5-12(11)18-10/h2-7,9-10H,8H2,1H3.
What are the key properties of imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 259.33 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 6625296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).