N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide

C19H16N4O2S — CID 48576700

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 48576700) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 48576700
• Molecular Formula: C19H16N4O2S
• Molecular Weight: 364.43 g/mol
• Exact Mass: 364.10
• IUPAC Name: N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide
• SMILES: CCc1ncc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1
• InChI: InChI=1S/C19H16N4O2S/c1-3-17-22-11-16(26-17)18(24)23-15-7-6-14(9-12(15)2)25-19-13(10-20)5-4-8-21-19/h4-9,11H,3H2,1-2H3,(H,23,24)
• InChIKey: KMEDXFVXHFSZNC-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.43
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 48576700) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1.

What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide?

The InChIKey is KMEDXFVXHFSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-3-17-22-11-16(26-17)18(24)23-15-7-6-14(9-12(15)2)25-19-13(10-20)5-4-8-21-19/h4-9,11H,3H2,1-2H3,(H,23,24).

What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide?

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48576700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).