6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid

C17H19FN2O3S — CID 45493291

IUPAC6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cc1csc(-c2ccccc2F)n1
InChIInChI=1S/C17H19FN2O3S/c18-14-7-4-3-6-13(14)17-20-12(11-24-17)10-15(21)19-9-5-1-2-8-16(22)23/h3-4,6-7,11H,1-2,5,8-10H2,(H,19,21)(H,22,23)
InChIKeyFYWWBAKYUYUMBC-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.25
Rot. Bonds9

About 6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid

6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid (PubChem CID 45493291) has the molecular formula C17H19FN2O3S and a molecular weight of 350.41 g/mol. Its IUPAC name is 6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid
PubChem CID45493291
Molecular FormulaC17H19FN2O3S
Molecular Weight350.41 g/mol
Exact Mass350.11
IUPAC Name6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cc1csc(-c2ccccc2F)n1
InChIInChI=1S/C17H19FN2O3S/c18-14-7-4-3-6-13(14)17-20-12(11-24-17)10-15(21)19-9-5-1-2-8-16(22)23/h3-4,6-7,11H,1-2,5,8-10H2,(H,19,21)(H,22,23)
InChIKeyFYWWBAKYUYUMBC-UHFFFAOYSA-N
XLogP3.25
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.25
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

7-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]heptanoic acid
CID 119227175
11-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]undecanoic acid
CID 108789111
N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119406639
4-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 29135792
5-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235215
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
6-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119219951
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539
2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45369812
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110450334
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid (CID 45493291) is 6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)Cc1csc(-c2ccccc2F)n1.
What is the InChIKey of 6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid?
The InChIKey is FYWWBAKYUYUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c18-14-7-4-3-6-13(14)17-20-12(11-24-17)10-15(21)19-9-5-1-2-8-16(22)23/h3-4,6-7,11H,1-2,5,8-10H2,(H,19,21)(H,22,23).
What are the key properties of 6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid?
6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid has a molecular weight of 350.41 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid is sourced from PubChem (CID 45493291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).