N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide

C20H16N6O2S — CID 154669466

About N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide

N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide (PubChem CID 154669466) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide
• PubChem CID: 154669466
• Molecular Formula: C20H16N6O2S
• Molecular Weight: 404.46 g/mol
• Exact Mass: 404.11
• IUPAC Name: N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide
• SMILES: O=C(CNC(=O)c1cnc[nH]1)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1
• InChI: InChI=1S/C20H16N6O2S/c27-18(10-23-19(28)16-9-22-12-24-16)26-20-25-17(11-29-20)15-3-1-2-14(8-15)13-4-6-21-7-5-13/h1-9,11-12H,10H2,(H,22,24)(H,23,28)(H,25,26,27)
• InChIKey: UZBCGMWVWHQTHN-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 112.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.46
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide?

The IUPAC name of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide (CID 154669466) is N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide.

What is the SMILES notation for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide?

The canonical SMILES for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide is O=C(CNC(=O)c1cnc[nH]1)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1.

What is the InChIKey of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide?

The InChIKey is UZBCGMWVWHQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c27-18(10-23-19(28)16-9-22-12-24-16)26-20-25-17(11-29-20)15-3-1-2-14(8-15)13-4-6-21-7-5-13/h1-9,11-12H,10H2,(H,22,24)(H,23,28)(H,25,26,27).

What are the key properties of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide?

N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 154669466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).