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

C22H18N4OS — CID 171678664

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

4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 171678664) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 171678664
• Molecular Formula: C22H18N4OS
• Molecular Weight: 386.48 g/mol
• Exact Mass: 386.12
• IUPAC Name: 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2cccnc2)sc1C(=O)NC(c1ccccc1)c1ccccn1
• InChI: InChI=1S/C22H18N4OS/c1-15-20(28-22(25-15)17-10-7-12-23-14-17)21(27)26-19(16-8-3-2-4-9-16)18-11-5-6-13-24-18/h2-14,19H,1H3,(H,26,27)
• InChIKey: GCUPMXSRCLKMIV-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.48
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 171678664) is 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)NC(c1ccccc1)c1ccccn1.

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

The InChIKey is GCUPMXSRCLKMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-15-20(28-22(25-15)17-10-7-12-23-14-17)21(27)26-19(16-8-3-2-4-9-16)18-11-5-6-13-24-18/h2-14,19H,1H3,(H,26,27).

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

4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 171678664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).