(2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide

C26H26N4O5S — CID 90787626

About (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide

(2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide (PubChem CID 90787626) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

• Compound Name: (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide
• PubChem CID: 90787626
• Molecular Formula: C26H26N4O5S
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.16
• IUPAC Name: (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide
• SMILES: CCC(=O)c1csc(NC(=O)[C@H]([C@@H](C)c2ccccc2)n2c(O)c(-c3ccc(OC)cc3)[nH]c2=O)n1
• InChI: InChI=1S/C26H26N4O5S/c1-4-20(31)19-14-36-25(27-19)29-23(32)22(15(2)16-8-6-5-7-9-16)30-24(33)21(28-26(30)34)17-10-12-18(35-3)13-11-17/h5-15,22,33H,4H2,1-3H3,(H,28,34)(H,27,29,32)/t15-,22-/m0/s1
• InChIKey: VIGTWIIYOUHVTN-NYHFZMIOSA-N
• XLogP: 4.59
• TPSA: 126.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide?

The IUPAC name of (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide (CID 90787626) is (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide.

What is the SMILES notation for (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide?

The canonical SMILES for (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide is CCC(=O)c1csc(NC(=O)[C@H]([C@@H](C)c2ccccc2)n2c(O)c(-c3ccc(OC)cc3)[nH]c2=O)n1.

What is the InChIKey of (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide?

The InChIKey is VIGTWIIYOUHVTN-NYHFZMIOSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-4-20(31)19-14-36-25(27-19)29-23(32)22(15(2)16-8-6-5-7-9-16)30-24(33)21(28-26(30)34)17-10-12-18(35-3)13-11-17/h5-15,22,33H,4H2,1-3H3,(H,28,34)(H,27,29,32)/t15-,22-/m0/s1.

What are the key properties of (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide?

(2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 506.58 g/mol, XLogP of 4.59, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 90787626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).