2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid

C12H11FN2O2S — CID 43628522

IUPAC2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)12-15-10(7-18-12)5-14-6-11(16)17/h1-4,7,14H,5-6H2,(H,16,17)
InChIKeyZTKBDBRWZHSCDI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.12
Rot. Bonds5

About 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid (PubChem CID 43628522) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
PubChem CID43628522
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)12-15-10(7-18-12)5-14-6-11(16)17/h1-4,7,14H,5-6H2,(H,16,17)
InChIKeyZTKBDBRWZHSCDI-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159430012
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108451
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylpropanoate
CID 43726131
7-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylamino]heptanoic acid
CID 99796613
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 64988515

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid (CID 43628522) is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid is O=C(O)CNCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid?
The InChIKey is ZTKBDBRWZHSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)12-15-10(7-18-12)5-14-6-11(16)17/h1-4,7,14H,5-6H2,(H,16,17).
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid?
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid is sourced from PubChem (CID 43628522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).