[2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate

C17H28N2O5S — CID 122521409

IUPAC[2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1csc([C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1
InChIInChI=1S/C17H28N2O5S/c1-10(2)13(19-16(22)24-17(4,5)6)7-14(21)15-18-12(9-25-15)8-23-11(3)20/h9-10,13-14,21H,7-8H2,1-6H3,(H,19,22)/t13-,14-/m1/s1
InChIKeyOYUCFKUNEQKYPQ-ZIAGYGMSSA-N
MW372.49 g/mol
LogP3.18
Rot. Bonds7

About [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate

[2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate (PubChem CID 122521409) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate
PubChem CID122521409
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC Name[2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1csc([C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1
InChIInChI=1S/C17H28N2O5S/c1-10(2)13(19-16(22)24-17(4,5)6)7-14(21)15-18-12(9-25-15)8-23-11(3)20/h9-10,13-14,21H,7-8H2,1-6H3,(H,19,22)/t13-,14-/m1/s1
InChIKeyOYUCFKUNEQKYPQ-ZIAGYGMSSA-N
XLogP3.18
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate
CID 122521411
ethane;2-[1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid
CID 142543096
2-[1-acetyloxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid;ethane
CID 145146468
methyl (2S,4R)-4-[[2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 15605749
methyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylate
CID 174789482
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-propan-2-yl-1,3-thiazol-4-yl)butanoic acid
CID 174645476
tert-butyl N-[(1S,2S)-1-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbutyl]carbamate chloride
CID 22829472
[2-[(3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]-1,3-thiazol-4-yl]methyl acetate
CID 122521560
[(2S,3S)-3-(4-bromo-1,3-thiazol-2-yl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate
CID 178176964
methyl (2S,4S)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 162451851
benzyl (4S)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 138971516
tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 22843594

Frequently Asked Questions

What is the IUPAC name of [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate?
The IUPAC name of [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate (CID 122521409) is [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate.
What is the SMILES notation for [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate?
The canonical SMILES for [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate is CC(=O)OCc1csc([C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1.
What is the InChIKey of [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate?
The InChIKey is OYUCFKUNEQKYPQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-10(2)13(19-16(22)24-17(4,5)6)7-14(21)15-18-12(9-25-15)8-23-11(3)20/h9-10,13-14,21H,7-8H2,1-6H3,(H,19,22)/t13-,14-/m1/s1.
What are the key properties of [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate?
[2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate has a molecular weight of 372.49 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R,3R)-1-hydroxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazol-4-yl]methyl acetate is sourced from PubChem (CID 122521409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).