2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid

C6H6FNO2S — CID 131121519

IUPAC2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cc(C(F)C(=O)O)sn1
InChIInChI=1S/C6H6FNO2S/c1-3-2-4(11-8-3)5(7)6(9)10/h2,5H,1H3,(H,9,10)
InChIKeyQECNRVBUSJICHH-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.55
Rot. Bonds2

About 2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid

2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid (PubChem CID 131121519) has the molecular formula C6H6FNO2S and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
PubChem CID131121519
Molecular FormulaC6H6FNO2S
Molecular Weight175.18 g/mol
Exact Mass175.01
IUPAC Name2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cc(C(F)C(=O)O)sn1
InChIInChI=1S/C6H6FNO2S/c1-3-2-4(11-8-3)5(7)6(9)10/h2,5H,1H3,(H,9,10)
InChIKeyQECNRVBUSJICHH-UHFFFAOYSA-N
XLogP1.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid (CID 131121519) is 2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid is Cc1cc(C(F)C(=O)O)sn1.
What is the InChIKey of 2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The InChIKey is QECNRVBUSJICHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2S/c1-3-2-4(11-8-3)5(7)6(9)10/h2,5H,1H3,(H,9,10).
What are the key properties of 2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid has a molecular weight of 175.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 131121519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).