N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide

C23H21N3O2S — CID 55881727

About N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 55881727) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 55881727
• Molecular Formula: C23H21N3O2S
• Molecular Weight: 403.51 g/mol
• Exact Mass: 403.14
• IUPAC Name: N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(-c2nc(C)c(C(=O)N(C)C(c3ccccc3)c3ccccn3)s2)o1
• InChI: InChI=1S/C23H21N3O2S/c1-15-12-13-19(28-15)22-25-16(2)21(29-22)23(27)26(3)20(17-9-5-4-6-10-17)18-11-7-8-14-24-18/h4-14,20H,1-3H3
• InChIKey: NUOXTUGHFCUZPZ-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.51
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 55881727) is N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N(C)C(c3ccccc3)c3ccccn3)s2)o1.

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

The InChIKey is NUOXTUGHFCUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15-12-13-19(28-15)22-25-16(2)21(29-22)23(27)26(3)20(17-9-5-4-6-10-17)18-11-7-8-14-24-18/h4-14,20H,1-3H3.

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

N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55881727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).