2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid

C15H16FNO2S — CID 62071528

IUPAC2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
SMILESCc1ncsc1CCC(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C15H16FNO2S/c1-10-14(20-9-17-10)7-6-12(15(18)19)8-11-4-2-3-5-13(11)16/h2-5,9,12H,6-8H2,1H3,(H,18,19)
InChIKeyZLEIXMCEGZLIGN-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.47
Rot. Bonds6

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

2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid (PubChem CID 62071528) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
PubChem CID62071528
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
SMILESCc1ncsc1CCC(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C15H16FNO2S/c1-10-14(20-9-17-10)7-6-12(15(18)19)8-11-4-2-3-5-13(11)16/h2-5,9,12H,6-8H2,1H3,(H,18,19)
InChIKeyZLEIXMCEGZLIGN-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid (CID 62071528) is 2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid is Cc1ncsc1CCC(Cc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The InChIKey is ZLEIXMCEGZLIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-14(20-9-17-10)7-6-12(15(18)19)8-11-4-2-3-5-13(11)16/h2-5,9,12H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid has a molecular weight of 293.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid is sourced from PubChem (CID 62071528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).