N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C15H19N3O3S3 — CID 16559289

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 16559289) has the molecular formula C15H19N3O3S3 and a molecular weight of 385.54 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

• Compound Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
• PubChem CID: 16559289
• Molecular Formula: C15H19N3O3S3
• Molecular Weight: 385.54 g/mol
• Exact Mass: 385.06
• IUPAC Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
• SMILES: CC1CCc2nc(NC(=O)CN(C)S(=O)(=O)c3cccs3)sc2C1
• InChI: InChI=1S/C15H19N3O3S3/c1-10-5-6-11-12(8-10)23-15(16-11)17-13(19)9-18(2)24(20,21)14-4-3-7-22-14/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,17,19)
• InChIKey: NSHRLBYUJAIDAJ-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.54
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?

The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 16559289) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?

The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CC1CCc2nc(NC(=O)CN(C)S(=O)(=O)c3cccs3)sc2C1.

What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?

The InChIKey is NSHRLBYUJAIDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S3/c1-10-5-6-11-12(8-10)23-15(16-11)17-13(19)9-18(2)24(20,21)14-4-3-7-22-14/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,17,19).

What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 385.54 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 16559289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).