8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole

C17H22N2O4S — CID 87483734

IUPAC8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole
SMILESO=C(O)CCCCCCC(=O)NO.c1ccc(-c2nccs2)cc1
InChIInChI=1S/C9H7NS.C8H15NO4/c1-2-4-8(5-3-1)9-10-6-7-11-9;10-7(9-13)5-3-1-2-4-6-8(11)12/h1-7H;13H,1-6H2,(H,9,10)(H,11,12)
InChIKeyXWKNBYIBLLQJOR-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.73
Rot. Bonds8

About 8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole

8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole (PubChem CID 87483734) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole
PubChem CID87483734
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole
SMILESO=C(O)CCCCCCC(=O)NO.c1ccc(-c2nccs2)cc1
InChIInChI=1S/C9H7NS.C8H15NO4/c1-2-4-8(5-3-1)9-10-6-7-11-9;10-7(9-13)5-3-1-2-4-6-8(11)12/h1-7H;13H,1-6H2,(H,9,10)(H,11,12)
InChIKeyXWKNBYIBLLQJOR-UHFFFAOYSA-N
XLogP3.73
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
octanedioic acid;bis(1,3-thiazol-2-amine)
CID 139147698
2-[4-(1,3-thiazol-2-yl)pyridin-1-ium-1-yl]acetic acid
CID 154673712
4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
CID 64888719
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 30159568

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole?
The IUPAC name of 8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole (CID 87483734) is 8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole.
What is the SMILES notation for 8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole?
The canonical SMILES for 8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole is O=C(O)CCCCCCC(=O)NO.c1ccc(-c2nccs2)cc1.
What is the InChIKey of 8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole?
The InChIKey is XWKNBYIBLLQJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS.C8H15NO4/c1-2-4-8(5-3-1)9-10-6-7-11-9;10-7(9-13)5-3-1-2-4-6-8(11)12/h1-7H;13H,1-6H2,(H,9,10)(H,11,12).
What are the key properties of 8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole?
8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole has a molecular weight of 350.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole is sourced from PubChem (CID 87483734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).