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

C15H16FNO2S — CID 15163917

IUPAC2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid
SMILESCCc1nc(-c2ccc(C(C)C(=O)O)cc2F)sc1C
InChIInChI=1S/C15H16FNO2S/c1-4-13-9(3)20-14(17-13)11-6-5-10(7-12(11)16)8(2)15(18)19/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeySKQHAIUMPOFQQZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.01
Rot. Bonds4

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

2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid (PubChem CID 15163917) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid
PubChem CID15163917
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid
SMILESCCc1nc(-c2ccc(C(C)C(=O)O)cc2F)sc1C
InChIInChI=1S/C15H16FNO2S/c1-4-13-9(3)20-14(17-13)11-6-5-10(7-12(11)16)8(2)15(18)19/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeySKQHAIUMPOFQQZ-UHFFFAOYSA-N
XLogP4.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid?
The IUPAC name of 2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid (CID 15163917) is 2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid.
What is the SMILES notation for 2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid?
The canonical SMILES for 2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid is CCc1nc(-c2ccc(C(C)C(=O)O)cc2F)sc1C.
What is the InChIKey of 2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid?
The InChIKey is SKQHAIUMPOFQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-4-13-9(3)20-14(17-13)11-6-5-10(7-12(11)16)8(2)15(18)19/h5-8H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid?
2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-fluorophenyl]propanoic acid is sourced from PubChem (CID 15163917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).