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

C14H13F2NO2S — CID 114360286

IUPAC2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)Cc1nc(-c2cc(F)ccc2F)sc1C(=O)O
InChIInChI=1S/C14H13F2NO2S/c1-7(2)5-11-12(14(18)19)20-13(17-11)9-6-8(15)3-4-10(9)16/h3-4,6-7H,5H2,1-2H3,(H,18,19)
InChIKeyBIVBSSRISFXEGF-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.98
Rot. Bonds4

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

2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360286) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360286
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)Cc1nc(-c2cc(F)ccc2F)sc1C(=O)O
InChIInChI=1S/C14H13F2NO2S/c1-7(2)5-11-12(14(18)19)20-13(17-11)9-6-8(15)3-4-10(9)16/h3-4,6-7H,5H2,1-2H3,(H,18,19)
InChIKeyBIVBSSRISFXEGF-UHFFFAOYSA-N
XLogP3.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (CID 114360286) is 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is CC(C)Cc1nc(-c2cc(F)ccc2F)sc1C(=O)O.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BIVBSSRISFXEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-7(2)5-11-12(14(18)19)20-13(17-11)9-6-8(15)3-4-10(9)16/h3-4,6-7H,5H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).