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

C17H18N4O2S2 — CID 43968519

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

2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43968519) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 43968519
• Molecular Formula: C17H18N4O2S2
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.09
• IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc2nc(Nc3sc4c(c3C(N)=O)CCN(C)C4)sc2c1
• InChI: InChI=1S/C17H18N4O2S2/c1-21-6-5-10-13(8-21)24-16(14(10)15(18)22)20-17-19-11-4-3-9(23-2)7-12(11)25-17/h3-4,7H,5-6,8H2,1-2H3,(H2,18,22)(H,19,20)
• InChIKey: OMTTYIOQWZHEKA-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 80.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43968519) is 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

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

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

The InChIKey is OMTTYIOQWZHEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-21-6-5-10-13(8-21)24-16(14(10)15(18)22)20-17-19-11-4-3-9(23-2)7-12(11)25-17/h3-4,7H,5-6,8H2,1-2H3,(H2,18,22)(H,19,20).

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

2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43968519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).