2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

C15H16FNO2S — CID 114360469

IUPAC2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(F)ccc1-c1nc(CC(C)C)c(C(=O)O)s1
InChIInChI=1S/C15H16FNO2S/c1-8(2)6-12-13(15(18)19)20-14(17-12)11-5-4-10(16)7-9(11)3/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyWLXFONCKLQGVLC-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.15
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360469) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360469
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(F)ccc1-c1nc(CC(C)C)c(C(=O)O)s1
InChIInChI=1S/C15H16FNO2S/c1-8(2)6-12-13(15(18)19)20-14(17-12)11-5-4-10(16)7-9(11)3/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyWLXFONCKLQGVLC-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (CID 114360469) is 2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is Cc1cc(F)ccc1-c1nc(CC(C)C)c(C(=O)O)s1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WLXFONCKLQGVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-8(2)6-12-13(15(18)19)20-14(17-12)11-5-4-10(16)7-9(11)3/h4-5,7-8H,6H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).