6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid

C17H20N2O4S — CID 119220256

IUPAC6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
SMILESCOc1ccc(-c2ncc(C(=O)NCCCCCC(=O)O)s2)cc1
InChIInChI=1S/C17H20N2O4S/c1-23-13-8-6-12(7-9-13)17-19-11-14(24-17)16(22)18-10-4-2-3-5-15(20)21/h6-9,11H,2-5,10H2,1H3,(H,18,22)(H,20,21)
InChIKeySDYXXAGEHIRCGD-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.19
Rot. Bonds9

About 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid

6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid (PubChem CID 119220256) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
PubChem CID119220256
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
SMILESCOc1ccc(-c2ncc(C(=O)NCCCCCC(=O)O)s2)cc1
InChIInChI=1S/C17H20N2O4S/c1-23-13-8-6-12(7-9-13)17-19-11-14(24-17)16(22)18-10-4-2-3-5-15(20)21/h6-9,11H,2-5,10H2,1H3,(H,18,22)(H,20,21)
InChIKeySDYXXAGEHIRCGD-UHFFFAOYSA-N
XLogP3.19
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid 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

6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 119219821
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119393111
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid
CID 120535642
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 71995102
6-[(4-methoxybenzenecarbothioyl)amino]hexanoic acid
CID 5303098
N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 119667279
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991474
2-(3,5-difluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166627873

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid (CID 119220256) is 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid is COc1ccc(-c2ncc(C(=O)NCCCCCC(=O)O)s2)cc1.
What is the InChIKey of 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid?
The InChIKey is SDYXXAGEHIRCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-13-8-6-12(7-9-13)17-19-11-14(24-17)16(22)18-10-4-2-3-5-15(20)21/h6-9,11H,2-5,10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid?
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid has a molecular weight of 348.42 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119220256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).