6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C18H18N4O3S2 — CID 7158841

About 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 7158841) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 7158841
• Molecular Formula: C18H18N4O3S2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.08
• IUPAC Name: 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc2nc(Nc3sc4c(c3C(N)=O)CCN(C(C)=O)C4)sc2c1
• InChI: InChI=1S/C18H18N4O3S2/c1-9(23)22-6-5-11-14(8-22)26-17(15(11)16(19)24)21-18-20-12-4-3-10(25-2)7-13(12)27-18/h3-4,7H,5-6,8H2,1-2H3,(H2,19,24)(H,20,21)
• InChIKey: WOPMCAGVDUWWIL-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 7158841) is 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is COc1ccc2nc(Nc3sc4c(c3C(N)=O)CCN(C(C)=O)C4)sc2c1.

What is the InChIKey of 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is WOPMCAGVDUWWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-9(23)22-6-5-11-14(8-22)26-17(15(11)16(19)24)21-18-20-12-4-3-10(25-2)7-13(12)27-18/h3-4,7H,5-6,8H2,1-2H3,(H2,19,24)(H,20,21).

What are the key properties of 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 7158841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).