N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide

C19H19N3O2S2 — CID 7190277

About N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide

N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 7190277) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide
• PubChem CID: 7190277
• Molecular Formula: C19H19N3O2S2
• Molecular Weight: 385.51 g/mol
• Exact Mass: 385.09
• IUPAC Name: N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide
• SMILES: CNC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc2c1CC[C@H](C)C2
• InChI: InChI=1S/C19H19N3O2S2/c1-10-3-5-12-14(7-10)26-19(16(12)18(24)20-2)22-17(23)11-4-6-13-15(8-11)25-9-21-13/h4,6,8-10H,3,5,7H2,1-2H3,(H,20,24)(H,22,23)/t10-/m0/s1
• InChIKey: ZLJXIPIVDYEHIB-JTQLQIEISA-N
• XLogP: 4.09
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.51
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide?

The IUPAC name of N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide (CID 7190277) is N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide is CNC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc2c1CC[C@H](C)C2.

What is the InChIKey of N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide?

The InChIKey is ZLJXIPIVDYEHIB-JTQLQIEISA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-10-3-5-12-14(7-10)26-19(16(12)18(24)20-2)22-17(23)11-4-6-13-15(8-11)25-9-21-13/h4,6,8-10H,3,5,7H2,1-2H3,(H,20,24)(H,22,23)/t10-/m0/s1.

What are the key properties of N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide?

N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 7190277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).