4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid

C8H10FNO2S — CID 19885556

IUPAC4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(F)sc1C(=O)O
InChIInChI=1S/C8H10FNO2S/c1-8(2,3)5-4(6(11)12)13-7(9)10-5/h1-3H3,(H,11,12)
InChIKeySTYBBIDTNOVILW-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.28
Rot. Bonds1

About 4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid

4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid (PubChem CID 19885556) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid
PubChem CID19885556
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(F)sc1C(=O)O
InChIInChI=1S/C8H10FNO2S/c1-8(2,3)5-4(6(11)12)13-7(9)10-5/h1-3H3,(H,11,12)
InChIKeySTYBBIDTNOVILW-UHFFFAOYSA-N
XLogP2.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid (CID 19885556) is 4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid is CC(C)(C)c1nc(F)sc1C(=O)O.
What is the InChIKey of 4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid?
The InChIKey is STYBBIDTNOVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-8(2,3)5-4(6(11)12)13-7(9)10-5/h1-3H3,(H,11,12).
What are the key properties of 4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoro-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).