N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide

C25H33ClN4O7S — CID 90092517

About N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide

N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 90092517) has the molecular formula C25H33ClN4O7S and a molecular weight of 569.08 g/mol. Its IUPAC name is N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 90092517
• Molecular Formula: C25H33ClN4O7S
• Molecular Weight: 569.08 g/mol
• Exact Mass: 568.18
• IUPAC Name: N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
• SMILES: COCC(NC(=O)c1cnc(C)s1)C(=O)NC(COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@](C)(O)CCl
• InChI: InChI=1S/C25H33ClN4O7S/c1-15-27-11-20(38-15)24(34)30-19(13-37-4)23(33)29-18(12-36-3)22(32)28-17(21(31)25(2,35)14-26)10-16-8-6-5-7-9-16/h5-9,11,17-19,35H,10,12-14H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)/t17-,18?,19?,25+/m0/s1
• InChIKey: WSVRBADDCHPCNG-NJZGTNIQSA-N
• XLogP: 0.61
• TPSA: 155.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.08
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide (CID 90092517) is N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide is COCC(NC(=O)c1cnc(C)s1)C(=O)NC(COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@](C)(O)CCl.

What is the InChIKey of N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is WSVRBADDCHPCNG-NJZGTNIQSA-N. The full InChI is InChI=1S/C25H33ClN4O7S/c1-15-27-11-20(38-15)24(34)30-19(13-37-4)23(33)29-18(12-36-3)22(32)28-17(21(31)25(2,35)14-26)10-16-8-6-5-7-9-16/h5-9,11,17-19,35H,10,12-14H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)/t17-,18?,19?,25+/m0/s1.

What are the key properties of N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide?

N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 569.08 g/mol, XLogP of 0.61, 15 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[[(2S,4S)-5-chloro-4-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90092517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).