N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C22H19N3O2S2 — CID 18288477

About N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 18288477) has the molecular formula C22H19N3O2S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide
• PubChem CID: 18288477
• Molecular Formula: C22H19N3O2S2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.09
• IUPAC Name: N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide
• SMILES: Cc1ccc(Cn2ccs/c2=N/C(=O)c2ccc(OCc3cscn3)cc2)cc1
• InChI: InChI=1S/C22H19N3O2S2/c1-16-2-4-17(5-3-16)12-25-10-11-29-22(25)24-21(26)18-6-8-20(9-7-18)27-13-19-14-28-15-23-19/h2-11,14-15H,12-13H2,1H3/b24-22+
• InChIKey: AXYIKQMYJIOYEG-ZNTNEXAZSA-N
• XLogP: 4.68
• TPSA: 56.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide?

The IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 18288477) is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

What is the SMILES notation for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide?

The canonical SMILES for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide is Cc1ccc(Cn2ccs/c2=N/C(=O)c2ccc(OCc3cscn3)cc2)cc1.

What is the InChIKey of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide?

The InChIKey is AXYIKQMYJIOYEG-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H19N3O2S2/c1-16-2-4-17(5-3-16)12-25-10-11-29-22(25)24-21(26)18-6-8-20(9-7-18)27-13-19-14-28-15-23-19/h2-11,14-15H,12-13H2,1H3/b24-22+.

What are the key properties of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide?

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 421.55 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 18288477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).