5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one

C17H17N3OS — CID 142943634

IUPAC5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one
SMILESCc1ccc2c(c1)C(=O)NC2.Cc1ccc2snc(N)c2c1
InChIInChI=1S/C9H9NO.C8H8N2S/c1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-3-7-6(4-5)8(9)10-11-7/h2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H2,9,10)
InChIKeyQUKSIYOCDAKBKK-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.43
Rot. Bonds

About 5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one

5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one (PubChem CID 142943634) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one
PubChem CID142943634
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one
SMILESCc1ccc2c(c1)C(=O)NC2.Cc1ccc2snc(N)c2c1
InChIInChI=1S/C9H9NO.C8H8N2S/c1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-3-7-6(4-5)8(9)10-11-7/h2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H2,9,10)
InChIKeyQUKSIYOCDAKBKK-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-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-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one (CID 142943634) is 5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one is Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2snc(N)c2c1.
What is the InChIKey of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is QUKSIYOCDAKBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C8H8N2S/c1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-3-7-6(4-5)8(9)10-11-7/h2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H2,9,10).
What are the key properties of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one?
5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one has a molecular weight of 311.41 g/mol, XLogP of 3.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 142943634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).