5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid

C7H8FNO2S — CID 84771009

IUPAC5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid
SMILESCC(C)(F)c1cnc(C(=O)O)s1
InChIInChI=1S/C7H8FNO2S/c1-7(2,8)4-3-9-5(12-4)6(10)11/h3H,1-2H3,(H,10,11)
InChIKeyVEBBAKXZRNCAFM-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.05
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid

5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid (PubChem CID 84771009) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid
PubChem CID84771009
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid
SMILESCC(C)(F)c1cnc(C(=O)O)s1
InChIInChI=1S/C7H8FNO2S/c1-7(2,8)4-3-9-5(12-4)6(10)11/h3H,1-2H3,(H,10,11)
InChIKeyVEBBAKXZRNCAFM-UHFFFAOYSA-N
XLogP2.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid (CID 84771009) is 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid is CC(C)(F)c1cnc(C(=O)O)s1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is VEBBAKXZRNCAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-7(2,8)4-3-9-5(12-4)6(10)11/h3H,1-2H3,(H,10,11).
What are the key properties of 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid?
5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 84771009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).