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

C20H24N4O3S2 — CID 43968709

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

2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43968709) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 43968709
• Molecular Formula: C20H24N4O3S2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.13
• IUPAC Name: 2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(OC)c2nc(Nc3sc4c(c3C(N)=O)CCN(C(C)C)C4)sc2c1
• InChI: InChI=1S/C20H24N4O3S2/c1-10(2)24-6-5-12-15(9-24)28-19(16(12)18(21)25)23-20-22-17-13(27-4)7-11(26-3)8-14(17)29-20/h7-8,10H,5-6,9H2,1-4H3,(H2,21,25)(H,22,23)
• InChIKey: NTTUEDKHMCOINI-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 89.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43968709) is 2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is COc1cc(OC)c2nc(Nc3sc4c(c3C(N)=O)CCN(C(C)C)C4)sc2c1.

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

The InChIKey is NTTUEDKHMCOINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-10(2)24-6-5-12-15(9-24)28-19(16(12)18(21)25)23-20-22-17-13(27-4)7-11(26-3)8-14(17)29-20/h7-8,10H,5-6,9H2,1-4H3,(H2,21,25)(H,22,23).

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

2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43968709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).