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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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).