N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

C20H14N4O2S2 — CID 78869532

About N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 78869532) has the molecular formula C20H14N4O2S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 78869532
• Molecular Formula: C20H14N4O2S2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.06
• IUPAC Name: N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
• SMILES: Cc1ccc(-c2nc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cs2)o1
• InChI: InChI=1S/C20H14N4O2S2/c1-12-2-7-17(26-12)19-23-16(11-27-19)18(25)24-20-22-10-15(28-20)8-13-3-5-14(9-21)6-4-13/h2-7,10-11H,8H2,1H3,(H,22,24,25)
• InChIKey: BOSIHBQZAJVVTM-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 91.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (CID 78869532) is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cs2)o1.

What is the InChIKey of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is BOSIHBQZAJVVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S2/c1-12-2-7-17(26-12)19-23-16(11-27-19)18(25)24-20-22-10-15(28-20)8-13-3-5-14(9-21)6-4-13/h2-7,10-11H,8H2,1H3,(H,22,24,25).

What are the key properties of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78869532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).