N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine

C21H19N5S — CID 58707124

About N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine

N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 58707124) has the molecular formula C21H19N5S and a molecular weight of 373.49 g/mol. Its IUPAC name is N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine
• PubChem CID: 58707124
• Molecular Formula: C21H19N5S
• Molecular Weight: 373.49 g/mol
• Exact Mass: 373.14
• IUPAC Name: N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine
• SMILES: Cc1ccnc(Nc2cccc(-c3cnc(NCc4ccccc4)s3)n2)c1
• InChI: InChI=1S/C21H19N5S/c1-15-10-11-22-20(12-15)26-19-9-5-8-17(25-19)18-14-24-21(27-18)23-13-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,24)(H,22,25,26)
• InChIKey: WZOASRYMAZYLNE-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 62.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	373.49
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine?

The IUPAC name of N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine (CID 58707124) is N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine?

The canonical SMILES for N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine is Cc1ccnc(Nc2cccc(-c3cnc(NCc4ccccc4)s3)n2)c1.

What is the InChIKey of N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine?

The InChIKey is WZOASRYMAZYLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S/c1-15-10-11-22-20(12-15)26-19-9-5-8-17(25-19)18-14-24-21(27-18)23-13-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,24)(H,22,25,26).

What are the key properties of N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine?

N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 373.49 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58707124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).