3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide

C24H23N3O4S — CID 135678608

About 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide

3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide (PubChem CID 135678608) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
• PubChem CID: 135678608
• Molecular Formula: C24H23N3O4S
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.14
• IUPAC Name: 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
• SMILES: O=C(CCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O)NC(CO)Cc1ccccc1
• InChI: InChI=1S/C24H23N3O4S/c28-15-18(12-16-6-2-1-3-7-16)26-22(29)10-11-27-23(30)21(32-24(27)31)13-17-14-25-20-9-5-4-8-19(17)20/h1-9,13-14,18,28,30H,10-12,15H2,(H,26,29)/b17-13+
• InChIKey: DRBTYSKEQYVGGW-GHRIWEEISA-N
• XLogP: 2.98
• TPSA: 103.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?

The IUPAC name of 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide (CID 135678608) is 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide.

What is the SMILES notation for 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?

The canonical SMILES for 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide is O=C(CCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O)NC(CO)Cc1ccccc1.

What is the InChIKey of 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?

The InChIKey is DRBTYSKEQYVGGW-GHRIWEEISA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-15-18(12-16-6-2-1-3-7-16)26-22(29)10-11-27-23(30)21(32-24(27)31)13-17-14-25-20-9-5-4-8-19(17)20/h1-9,13-14,18,28,30H,10-12,15H2,(H,26,29)/b17-13+.

What are the key properties of 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?

3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide has a molecular weight of 449.53 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 135678608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).