N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide

C18H14N4O2S2 — CID 4646423

About N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 4646423) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide
• PubChem CID: 4646423
• Molecular Formula: C18H14N4O2S2
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.06
• IUPAC Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide
• SMILES: CC(=O)N1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C#N)C1
• InChI: InChI=1S/C18H14N4O2S2/c1-10(23)22-5-4-12-13(7-19)18(26-16(12)8-22)21-17(24)11-2-3-14-15(6-11)25-9-20-14/h2-3,6,9H,4-5,8H2,1H3,(H,21,24)
• InChIKey: WETMPDNKPBSGPO-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 86.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide?

The IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide (CID 4646423) is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C#N)C1.

What is the InChIKey of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide?

The InChIKey is WETMPDNKPBSGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c1-10(23)22-5-4-12-13(7-19)18(26-16(12)8-22)21-17(24)11-2-3-14-15(6-11)25-9-20-14/h2-3,6,9H,4-5,8H2,1H3,(H,21,24).

What are the key properties of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide?

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4646423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).