4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C17H17N5OS — CID 53200058

About 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 53200058) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 53200058
• Molecular Formula: C17H17N5OS
• Molecular Weight: 339.42 g/mol
• Exact Mass: 339.12
• IUPAC Name: 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(Nc2nc(C)c(C(=O)NCc3ccccn3)s2)n1
• InChI: InChI=1S/C17H17N5OS/c1-11-6-5-8-14(20-11)22-17-21-12(2)15(24-17)16(23)19-10-13-7-3-4-9-18-13/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
• InChIKey: JVLLYSRVUIZROD-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.42
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 53200058) is 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1cccc(Nc2nc(C)c(C(=O)NCc3ccccn3)s2)n1.

What is the InChIKey of 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is JVLLYSRVUIZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-6-5-8-14(20-11)22-17-21-12(2)15(24-17)16(23)19-10-13-7-3-4-9-18-13/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22).

What are the key properties of 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?

4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53200058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).