[5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid

C5H8BFN2O2S — CID 87610391

IUPAC[5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid
SMILESOB(O)c1ncc(NCCF)s1
InChIInChI=1S/C5H8BFN2O2S/c7-1-2-8-4-3-9-5(12-4)6(10)11/h3,8,10-11H,1-2H2
InChIKeyZODDALHXJBSKOG-UHFFFAOYSA-N
MW190.01 g/mol
LogP-0.80
Rot. Bonds4

About [5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid

[5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid (PubChem CID 87610391) has the molecular formula C5H8BFN2O2S and a molecular weight of 190.01 g/mol. Its IUPAC name is [5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid.

Molecular Properties

Compound Name[5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid
PubChem CID87610391
Molecular FormulaC5H8BFN2O2S
Molecular Weight190.01 g/mol
Exact Mass190.04
IUPAC Name[5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid
SMILESOB(O)c1ncc(NCCF)s1
InChIInChI=1S/C5H8BFN2O2S/c7-1-2-8-4-3-9-5(12-4)6(10)11/h3,8,10-11H,1-2H2
InChIKeyZODDALHXJBSKOG-UHFFFAOYSA-N
XLogP-0.80
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.01
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Methylaminothiazole
CID 23092585
2-Fluoro-1,3-thiazol-5-amine
CID 68751306
N-(2-fluoroethyl)-1,3-thiazol-5-amine
CID 91035232
N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine
CID 151586026
2-fluoro-N-methyl-1,3-thiazol-5-amine
CID 173035614
N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride
CID 175525904
2-(Fluoromethyl)-1,3-thiazol-5-amine
CID 84762337
N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine
CID 106784019
N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propane-1,3-diamine
CID 106784020
N,N'-dimethyl-N'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethane-1,2-diamine
CID 106784027
N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine
CID 19003043
(2-(Aminomethyl)thiazol-5-yl)boronic acid
CID 45121647

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid?
The IUPAC name of [5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid (CID 87610391) is [5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid.
What is the SMILES notation for [5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid?
The canonical SMILES for [5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid is OB(O)c1ncc(NCCF)s1.
What is the InChIKey of [5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid?
The InChIKey is ZODDALHXJBSKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BFN2O2S/c7-1-2-8-4-3-9-5(12-4)6(10)11/h3,8,10-11H,1-2H2.
What are the key properties of [5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid?
[5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid has a molecular weight of 190.01 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoroethylamino)-1,3-thiazol-2-yl]boronic acid is sourced from PubChem (CID 87610391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).