2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid

C11H9FN2O2S — CID 112585209

IUPAC2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1sc(CC(=O)O)nc1-c1ccc(F)cn1
InChIInChI=1S/C11H9FN2O2S/c1-6-11(8-3-2-7(12)5-13-8)14-9(17-6)4-10(15)16/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyJOHPVZYNNOCURH-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.28
Rot. Bonds3

About 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid

2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid (PubChem CID 112585209) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
PubChem CID112585209
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1sc(CC(=O)O)nc1-c1ccc(F)cn1
InChIInChI=1S/C11H9FN2O2S/c1-6-11(8-3-2-7(12)5-13-8)14-9(17-6)4-10(15)16/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyJOHPVZYNNOCURH-UHFFFAOYSA-N
XLogP2.28
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 112583390
1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine
CID 112583423
2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid
CID 83131751
2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid
CID 174641906
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112693890
[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]hydrazine
CID 112586126
2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174038
4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid
CID 156842816
2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole
CID 115941752
1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
CID 112583395
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid (CID 112585209) is 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid is Cc1sc(CC(=O)O)nc1-c1ccc(F)cn1.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
The InChIKey is JOHPVZYNNOCURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-6-11(8-3-2-7(12)5-13-8)14-9(17-6)4-10(15)16/h2-3,5H,4H2,1H3,(H,15,16).
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid?
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 112585209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).