4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide

C21H20N4O2S — CID 38473712

About 4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 38473712) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 38473712
• Molecular Formula: C21H20N4O2S
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.13
• IUPAC Name: 4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(-n4cccn4)cc3)s2)o1
• InChI: InChI=1S/C21H20N4O2S/c1-14-4-9-18(27-14)21-24-15(2)19(28-21)20(26)22-12-10-16-5-7-17(8-6-16)25-13-3-11-23-25/h3-9,11,13H,10,12H2,1-2H3,(H,22,26)
• InChIKey: MKNWXHQWAACEQT-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 38473712) is 4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(-n4cccn4)cc3)s2)o1.

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

The InChIKey is MKNWXHQWAACEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14-4-9-18(27-14)21-24-15(2)19(28-21)20(26)22-12-10-16-5-7-17(8-6-16)25-13-3-11-23-25/h3-9,11,13H,10,12H2,1-2H3,(H,22,26).

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

4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38473712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).