6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid

C10H11F3N2O3S — CID 167951864

IUPAC6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid
SMILESO=C(O)CCCCC(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)6-5-14-9(19-6)15-7(16)3-1-2-4-8(17)18/h5H,1-4H2,(H,17,18)(H,14,15,16)
InChIKeyDTWPJVJOMUYIBE-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.75
Rot. Bonds6

About 6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid

6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid (PubChem CID 167951864) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid
PubChem CID167951864
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid
SMILESO=C(O)CCCCC(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)6-5-14-9(19-6)15-7(16)3-1-2-4-8(17)18/h5H,1-4H2,(H,17,18)(H,14,15,16)
InChIKeyDTWPJVJOMUYIBE-UHFFFAOYSA-N
XLogP2.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122091221
5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 87954674
6-[(5-nitro-1,3-thiazol-2-yl)amino]-6-oxohexanoic acid
CID 15741046
8-[[5-(methylsulfamoyl)-1,3-thiazol-2-yl]amino]-8-oxooctanoic acid
CID 167745076
(Z)-4-[[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]hex-4-en-3-one
CID 123293568
3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 142495586
2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 137362895
5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid
CID 166315155
methyl 5-oxo-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanoate
CID 126796489
N-[2-(dimethylamino)-2-methylpropyl]-N'-[5-(trifluoromethyl)-1,3-thiazol-2-yl]oxamide
CID 100767989
(2S)-4-methyl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
CID 122050071
7-amino-N-(5-bromo-1,3-thiazol-2-yl)heptanamide
CID 60783690

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid?
The IUPAC name of 6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid (CID 167951864) is 6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid.
What is the SMILES notation for 6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid?
The canonical SMILES for 6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid is O=C(O)CCCCC(=O)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid?
The InChIKey is DTWPJVJOMUYIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-10(12,13)6-5-14-9(19-6)15-7(16)3-1-2-4-8(17)18/h5H,1-4H2,(H,17,18)(H,14,15,16).
What are the key properties of 6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid?
6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid has a molecular weight of 296.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid is sourced from PubChem (CID 167951864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).