N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C20H17N3O2S2 — CID 31913885

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 31913885) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 31913885
• Molecular Formula: C20H17N3O2S2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.08
• IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
• SMILES: Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccco4)n3)n2)cc1C
• InChI: InChI=1S/C20H17N3O2S2/c1-12-5-6-14(8-13(12)2)16-11-27-20(22-16)23-18(24)9-15-10-26-19(21-15)17-4-3-7-25-17/h3-8,10-11H,9H2,1-2H3,(H,22,23,24)
• InChIKey: JNHITKOIRURFGC-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 31913885) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccco4)n3)n2)cc1C.

What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?

The InChIKey is JNHITKOIRURFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-12-5-6-14(8-13(12)2)16-11-27-20(22-16)23-18(24)9-15-10-26-19(21-15)17-4-3-7-25-17/h3-8,10-11H,9H2,1-2H3,(H,22,23,24).

What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 31913885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).