N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide

C33H42N4O4S — CID 142653564

About N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide

N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide (PubChem CID 142653564) has the molecular formula C33H42N4O4S and a molecular weight of 590.79 g/mol. Its IUPAC name is N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide
• PubChem CID: 142653564
• Molecular Formula: C33H42N4O4S
• Molecular Weight: 590.79 g/mol
• Exact Mass: 590.29
• IUPAC Name: N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide
• SMILES: CC(C)C(=O)N1C=C(c2ccccc2)N(CC(=O)NC(Cc2ccccc2)C(O)C2=NCC(C)(C)S2)C(=O)[C@H]1C(C)C
• InChI: InChI=1S/C33H42N4O4S/c1-21(2)28-32(41)36(26(24-15-11-8-12-16-24)18-37(28)31(40)22(3)4)19-27(38)35-25(17-23-13-9-7-10-14-23)29(39)30-34-20-33(5,6)42-30/h7-16,18,21-22,25,28-29,39H,17,19-20H2,1-6H3,(H,35,38)/t25?,28-,29?/m1/s1
• InChIKey: MAANOCCSRKXOBN-QFFIKTPYSA-N
• XLogP: 4.35
• TPSA: 102.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.79
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide?

The IUPAC name of N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide (CID 142653564) is N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide.

What is the SMILES notation for N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide?

The canonical SMILES for N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide is CC(C)C(=O)N1C=C(c2ccccc2)N(CC(=O)NC(Cc2ccccc2)C(O)C2=NCC(C)(C)S2)C(=O)[C@H]1C(C)C.

What is the InChIKey of N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide?

The InChIKey is MAANOCCSRKXOBN-QFFIKTPYSA-N. The full InChI is InChI=1S/C33H42N4O4S/c1-21(2)28-32(41)36(26(24-15-11-8-12-16-24)18-37(28)31(40)22(3)4)19-27(38)35-25(17-23-13-9-7-10-14-23)29(39)30-34-20-33(5,6)42-30/h7-16,18,21-22,25,28-29,39H,17,19-20H2,1-6H3,(H,35,38)/t25?,28-,29?/m1/s1.

What are the key properties of N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide?

N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide has a molecular weight of 590.79 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-hydroxy-3-phenylpropan-2-yl]-2-[(2R)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetamide is sourced from PubChem (CID 142653564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).