2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide

C18H17FN4OS — CID 53199971

About 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide

2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 53199971) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 53199971
• Molecular Formula: C18H17FN4OS
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.11
• IUPAC Name: 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2sc(Nc3ccc(F)cn3)nc2C)cc1
• InChI: InChI=1S/C18H17FN4OS/c1-11-3-5-13(6-4-11)9-21-17(24)16-12(2)22-18(25-16)23-15-8-7-14(19)10-20-15/h3-8,10H,9H2,1-2H3,(H,21,24)(H,20,22,23)
• InChIKey: CFVUESFVOVZOTN-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 53199971) is 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(CNC(=O)c2sc(Nc3ccc(F)cn3)nc2C)cc1.

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

The InChIKey is CFVUESFVOVZOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-11-3-5-13(6-4-11)9-21-17(24)16-12(2)22-18(25-16)23-15-8-7-14(19)10-20-15/h3-8,10H,9H2,1-2H3,(H,21,24)(H,20,22,23).

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

2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53199971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).