N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C23H22N4O2S2 — CID 24575061

About N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 24575061) has the molecular formula C23H22N4O2S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 24575061
• Molecular Formula: C23H22N4O2S2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.12
• IUPAC Name: N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3sc4nc(C)cc(C)c4c3C)n2)cc1
• InChI: InChI=1S/C23H22N4O2S2/c1-12-9-13(2)25-22-19(12)14(3)20(31-22)21(29)27-23-26-18(11-30-23)17-7-5-16(6-8-17)10-24-15(4)28/h5-9,11H,10H2,1-4H3,(H,24,28)(H,26,27,29)
• InChIKey: WTDPWEWWJVLFBQ-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 24575061) is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3sc4nc(C)cc(C)c4c3C)n2)cc1.

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

The InChIKey is WTDPWEWWJVLFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S2/c1-12-9-13(2)25-22-19(12)14(3)20(31-22)21(29)27-23-26-18(11-30-23)17-7-5-16(6-8-17)10-24-15(4)28/h5-9,11H,10H2,1-4H3,(H,24,28)(H,26,27,29).

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

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 24575061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).