3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide

C20H17ClN4OS2 — CID 23914370

About 3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23914370) has the molecular formula C20H17ClN4OS2 and a molecular weight of 428.97 g/mol. Its IUPAC name is 3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23914370
• Molecular Formula: C20H17ClN4OS2
• Molecular Weight: 428.97 g/mol
• Exact Mass: 428.05
• IUPAC Name: 3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CCCc1ccc2c(N)c(C(=O)Nc3nc(-c4ccccc4Cl)cs3)sc2n1
• InChI: InChI=1S/C20H17ClN4OS2/c1-2-5-11-8-9-13-16(22)17(28-19(13)23-11)18(26)25-20-24-15(10-27-20)12-6-3-4-7-14(12)21/h3-4,6-10H,2,5,22H2,1H3,(H,24,25,26)
• InChIKey: ZZQCRMYJYLZOPL-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.97
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23914370) is 3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1ccc2c(N)c(C(=O)Nc3nc(-c4ccccc4Cl)cs3)sc2n1.

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

The InChIKey is ZZQCRMYJYLZOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS2/c1-2-5-11-8-9-13-16(22)17(28-19(13)23-11)18(26)25-20-24-15(10-27-20)12-6-3-4-7-14(12)21/h3-4,6-10H,2,5,22H2,1H3,(H,24,25,26).

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

3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 428.97 g/mol, XLogP of 5.86, 5 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-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23914370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).