N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C19H17N3O3S — CID 108797692

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108797692) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

• Compound Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
• PubChem CID: 108797692
• Molecular Formula: C19H17N3O3S
• Molecular Weight: 367.43 g/mol
• Exact Mass: 367.10
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
• SMILES: COc1ccc2nc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)sc2c1
• InChI: InChI=1S/C19H17N3O3S/c1-25-13-6-8-15-16(10-13)26-19(21-15)22-18(24)12-5-7-14-11(9-12)3-2-4-17(23)20-14/h5-10H,2-4H2,1H3,(H,20,23)(H,21,22,24)
• InChIKey: RLNXOWWDPDMJNY-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 80.32 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	367.43
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108797692) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is COc1ccc2nc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)sc2c1.

What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

The InChIKey is RLNXOWWDPDMJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-13-6-8-15-16(10-13)26-19(21-15)22-18(24)12-5-7-14-11(9-12)3-2-4-17(23)20-14/h5-10H,2-4H2,1H3,(H,20,23)(H,21,22,24).

What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108797692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).