3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C20H16Cl2N4OS2 — CID 23743020

About 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23743020) has the molecular formula C20H16Cl2N4OS2 and a molecular weight of 463.42 g/mol. Its IUPAC name is 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23743020
• Molecular Formula: C20H16Cl2N4OS2
• Molecular Weight: 463.42 g/mol
• Exact Mass: 462.01
• IUPAC Name: 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1nc2sc(C(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)c(N)c2c(C)c1C
• InChI: InChI=1S/C20H16Cl2N4OS2/c1-8-9(2)15-16(23)17(29-19(15)24-10(8)3)18(27)26-20-25-14(7-28-20)12-5-4-11(21)6-13(12)22/h4-7H,23H2,1-3H3,(H,25,26,27)
• InChIKey: OABOYGXASAWKIX-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.42
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 23743020) is 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)c(N)c2c(C)c1C.

What is the InChIKey of 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is OABOYGXASAWKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4OS2/c1-8-9(2)15-16(23)17(29-19(15)24-10(8)3)18(27)26-20-25-14(7-28-20)12-5-4-11(21)6-13(12)22/h4-7H,23H2,1-3H3,(H,25,26,27).

What are the key properties of 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 6.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23743020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).