3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide

C18H15N3O3S3 — CID 18560845

About 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide

3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide (PubChem CID 18560845) has the molecular formula C18H15N3O3S3 and a molecular weight of 417.54 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide
• PubChem CID: 18560845
• Molecular Formula: C18H15N3O3S3
• Molecular Weight: 417.54 g/mol
• Exact Mass: 417.03
• IUPAC Name: 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide
• SMILES: Cc1nc2ccc3nc(NC(=O)CCS(=O)(=O)c4ccccc4)sc3c2s1
• InChI: InChI=1S/C18H15N3O3S3/c1-11-19-13-7-8-14-17(16(13)25-11)26-18(20-14)21-15(22)9-10-27(23,24)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21,22)
• InChIKey: WSRTXHZCQBKZSW-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 89.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.54
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide?

The IUPAC name of 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide (CID 18560845) is 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide.

What is the SMILES notation for 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide?

The canonical SMILES for 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide is Cc1nc2ccc3nc(NC(=O)CCS(=O)(=O)c4ccccc4)sc3c2s1.

What is the InChIKey of 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide?

The InChIKey is WSRTXHZCQBKZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S3/c1-11-19-13-7-8-14-17(16(13)25-11)26-18(20-14)21-15(22)9-10-27(23,24)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21,22).

What are the key properties of 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide?

3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide has a molecular weight of 417.54 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide is sourced from PubChem (CID 18560845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).