N-[1-[[1-[(4,5-dihydroxy-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

C25H34N4O8S — CID 123873301

IUPACN-[1-[[1-[(4,5-dihydroxy-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
SMILESCOCC(NC(=O)c1cnc(C)s1)C(=O)NC(COC)C(=O)NC(Cc1ccccc1)C(=O)C(C)(O)CO
InChIInChI=1S/C25H34N4O8S/c1-15-26-11-20(38-15)24(34)29-19(13-37-4)23(33)28-18(12-36-3)22(32)27-17(21(31)25(2,35)14-30)10-16-8-6-5-7-9-16/h5-9,11,17-19,30,35H,10,12-14H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)
InChIKeyRHFUHSDFTYQYSI-UHFFFAOYSA-N
MW550.63 g/mol
LogP-0.63
Rot. Bonds15

About N-[1-[[1-[(4,5-dihydroxy-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-[(4,5-dihydroxy-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 123873301) has the molecular formula C25H34N4O8S and a molecular weight of 550.63 g/mol. Its IUPAC name is N-[1-[[1-[(4,5-dihydroxy-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 NameN-[1-[[1-[(4,5-dihydroxy-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 CID123873301
Molecular FormulaC25H34N4O8S
Molecular Weight550.63 g/mol
Exact Mass550.21
IUPAC NameN-[1-[[1-[(4,5-dihydroxy-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
SMILESCOCC(NC(=O)c1cnc(C)s1)C(=O)NC(COC)C(=O)NC(Cc1ccccc1)C(=O)C(C)(O)CO
InChIInChI=1S/C25H34N4O8S/c1-15-26-11-20(38-15)24(34)29-19(13-37-4)23(33)28-18(12-36-3)22(32)27-17(21(31)25(2,35)14-30)10-16-8-6-5-7-9-16/h5-9,11,17-19,30,35H,10,12-14H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)
InChIKeyRHFUHSDFTYQYSI-UHFFFAOYSA-N
XLogP-0.63
TPSA176.18 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.63
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[1-[[1-[(4,5-dihydroxy-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 with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(2S)-1-[[(2S)-4,5-dihydroxy-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 134212913
N-[1-[[(2S)-1-[[(2S,4R)-4,5-dihydroxy-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 142310736
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
[2-hydroxy-4-[[(2S)-3-methoxy-2-[[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoyl]amino]propanoyl]amino]-2-methyl-3-oxo-5-phenylpentyl] 2,2,2-trifluoroethanesulfonate
CID 134212968
[(2R,4S)-2-hydroxy-4-[[(2S)-3-methoxy-2-[[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoyl]amino]propanoyl]amino]-2-methyl-3-oxo-5-phenylpentyl] 4-methylbenzenesulfonate
CID 72737660
[(3R,5S)-5-[[(2S)-3-methoxy-2-[[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoyl]amino]propanoyl]amino]-3-methyl-4-oxo-6-phenylhexan-3-yl] formate
CID 134212863
[(2R,4S)-2-hydroxy-4-[[(2S,5S)-6-methoxy-2-(methoxymethyl)-5-[(2-methyl-1,3-thiazole-5-carbonyl)amino]-4-oxohexanoyl]amino]-2-methyl-3-oxo-5-phenylpentyl] acetate
CID 149048158
[(4S)-1-iodo-4-[[(2S)-3-methoxy-2-[[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoyl]amino]propanoyl]amino]-2-methyl-3-oxo-5-phenylpentan-2-yl] 2-aminoacetate
CID 134212739
N-[(2S)-1-[[(2S)-1-[[(2S,4R)-5-amino-3,3,4-trihydroxy-4-methyl-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 121493992
1-O-ethyl 4-O-[(3R,5S)-5-[[(2S)-3-methoxy-2-[[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoyl]amino]propanoyl]amino]-3-methyl-4-oxo-6-phenylhexan-3-yl] butanedioate
CID 134212832
[(2S,4S)-1-iodo-4-[[(2S)-3-methoxy-2-[[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoyl]amino]propanoyl]amino]-2-methyl-3-oxo-5-phenylpentan-2-yl] 2-phenoxyacetate
CID 72737716
[1-iodo-4-[[3-methoxy-2-[[3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoyl]amino]propanoyl]amino]-2-methyl-3-oxo-5-phenylpentan-2-yl] 2-(acetyloxymethyl)benzoate
CID 90092443

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(4,5-dihydroxy-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-[(4,5-dihydroxy-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 123873301) is N-[1-[[1-[(4,5-dihydroxy-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-[(4,5-dihydroxy-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-[(4,5-dihydroxy-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)NC(Cc1ccccc1)C(=O)C(C)(O)CO.
What is the InChIKey of N-[1-[[1-[(4,5-dihydroxy-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 RHFUHSDFTYQYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O8S/c1-15-26-11-20(38-15)24(34)29-19(13-37-4)23(33)28-18(12-36-3)22(32)27-17(21(31)25(2,35)14-30)10-16-8-6-5-7-9-16/h5-9,11,17-19,30,35H,10,12-14H2,1-4H3,(H,27,32)(H,28,33)(H,29,34).
What are the key properties of N-[1-[[1-[(4,5-dihydroxy-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-[(4,5-dihydroxy-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 550.63 g/mol, XLogP of -0.63, 15 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(4,5-dihydroxy-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 123873301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).