2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid

C12H11FN2O2S — CID 174743507

IUPAC2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(NCc2ccc(F)cc2)s1
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)6-14-12-15-7-10(18-12)5-11(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17)
InChIKeyCSGMYLKFAGNMOK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid

2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid (PubChem CID 174743507) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
PubChem CID174743507
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(NCc2ccc(F)cc2)s1
InChIInChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)6-14-12-15-7-10(18-12)5-11(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17)
InChIKeyCSGMYLKFAGNMOK-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-pyridin-3-ylphenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
CID 174704498
2-[2-[(4-fluorophenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]acetic acid
CID 84761811
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
2-[(3-fluorophenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571876
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 134384658
N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67335635
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
N-[(4-fluorophenyl)methyl]-2-[2-[[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide
CID 88917266
5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 91326053
2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid
CID 110432713
2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 19715634
5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62000351

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid (CID 174743507) is 2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1cnc(NCc2ccc(F)cc2)s1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is CSGMYLKFAGNMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)6-14-12-15-7-10(18-12)5-11(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid?
2-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 2.52, 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)methylamino]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 174743507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).