N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C22H25N3O2S2 — CID 46414207

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46414207) has the molecular formula C22H25N3O2S2 and a molecular weight of 427.60 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 46414207
• Molecular Formula: C22H25N3O2S2
• Molecular Weight: 427.60 g/mol
• Exact Mass: 427.14
• IUPAC Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1ccc(OCc2nc(C(=O)NCC(C)N3CCc4sccc4C3)cs2)cc1
• InChI: InChI=1S/C22H25N3O2S2/c1-15-3-5-18(6-4-15)27-13-21-24-19(14-29-21)22(26)23-11-16(2)25-9-7-20-17(12-25)8-10-28-20/h3-6,8,10,14,16H,7,9,11-13H2,1-2H3,(H,23,26)
• InChIKey: ZJBBOLGHYUBMLV-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.60
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 46414207) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(OCc2nc(C(=O)NCC(C)N3CCc4sccc4C3)cs2)cc1.

What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is ZJBBOLGHYUBMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S2/c1-15-3-5-18(6-4-15)27-13-21-24-19(14-29-21)22(26)23-11-16(2)25-9-7-20-17(12-25)8-10-28-20/h3-6,8,10,14,16H,7,9,11-13H2,1-2H3,(H,23,26).

What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 427.60 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46414207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).