methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate

C23H20N4O3S — CID 167835828

About methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate

methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate (PubChem CID 167835828) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

• Compound Name: methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate
• PubChem CID: 167835828
• Molecular Formula: C23H20N4O3S
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.13
• IUPAC Name: methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate
• SMILES: COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1
• InChI: InChI=1S/C23H20N4O3S/c1-30-23(29)18(12-17-13-24-14-25-17)26-21(28)20-19(15-8-4-2-5-9-15)27-22(31-20)16-10-6-3-7-11-16/h2-11,13-14,18H,12H2,1H3,(H,24,25)(H,26,28)/t18-/m0/s1
• InChIKey: DLKURKMGBVMLIV-SFHVURJKSA-N
• XLogP: 3.71
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate?

The IUPAC name of methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate (CID 167835828) is methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate.

What is the SMILES notation for methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate?

The canonical SMILES for methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate is COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1.

What is the InChIKey of methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate?

The InChIKey is DLKURKMGBVMLIV-SFHVURJKSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-30-23(29)18(12-17-13-24-14-25-17)26-21(28)20-19(15-8-4-2-5-9-15)27-22(31-20)16-10-6-3-7-11-16/h2-11,13-14,18H,12H2,1H3,(H,24,25)(H,26,28)/t18-/m0/s1.

What are the key properties of methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate?

methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 432.51 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-[(2,4-diphenyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 167835828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).