2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

C7H8FNO2S — CID 19885487

IUPAC2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(F)sc1C(=O)O
InChIInChI=1S/C7H8FNO2S/c1-3(2)4-5(6(10)11)12-7(8)9-4/h3H,1-2H3,(H,10,11)
InChIKeyYCXLPHSAENOUPK-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.10
Rot. Bonds2

About 2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 19885487) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID19885487
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(F)sc1C(=O)O
InChIInChI=1S/C7H8FNO2S/c1-3(2)4-5(6(10)11)12-7(8)9-4/h3H,1-2H3,(H,10,11)
InChIKeyYCXLPHSAENOUPK-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 19885487) is 2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(F)sc1C(=O)O.
What is the InChIKey of 2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YCXLPHSAENOUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-3(2)4-5(6(10)11)12-7(8)9-4/h3H,1-2H3,(H,10,11).
What are the key properties of 2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).