3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

C17H13ClN2O2S2 — CID 162670824

About 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 162670824) has the molecular formula C17H13ClN2O2S2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
• PubChem CID: 162670824
• Molecular Formula: C17H13ClN2O2S2
• Molecular Weight: 376.89 g/mol
• Exact Mass: 376.01
• IUPAC Name: 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
• SMILES: Cc1ccc2c(Cl)c(C(=O)Nc3nc4c(s3)C(=O)CCC4)sc2c1
• InChI: InChI=1S/C17H13ClN2O2S2/c1-8-5-6-9-12(7-8)23-15(13(9)18)16(22)20-17-19-10-3-2-4-11(21)14(10)24-17/h5-7H,2-4H2,1H3,(H,19,20,22)
• InChIKey: YMOMSQCUZDJFDJ-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.89
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?

The IUPAC name of 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide (CID 162670824) is 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?

The canonical SMILES for 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is Cc1ccc2c(Cl)c(C(=O)Nc3nc4c(s3)C(=O)CCC4)sc2c1.

What is the InChIKey of 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?

The InChIKey is YMOMSQCUZDJFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S2/c1-8-5-6-9-12(7-8)23-15(13(9)18)16(22)20-17-19-10-3-2-4-11(21)14(10)24-17/h5-7H,2-4H2,1H3,(H,19,20,22).

What are the key properties of 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?

3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 162670824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).