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

C8H11NO2S — CID 82372989

IUPAC2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid
SMILESCC(C)c1cc(CC(=O)O)sn1
InChIInChI=1S/C8H11NO2S/c1-5(2)7-3-6(12-9-7)4-8(10)11/h3,5H,4H2,1-2H3,(H,10,11)
InChIKeyXQFCSRIORCUXER-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.89
Rot. Bonds3

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

2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid (PubChem CID 82372989) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid
PubChem CID82372989
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid
SMILESCC(C)c1cc(CC(=O)O)sn1
InChIInChI=1S/C8H11NO2S/c1-5(2)7-3-6(12-9-7)4-8(10)11/h3,5H,4H2,1-2H3,(H,10,11)
InChIKeyXQFCSRIORCUXER-UHFFFAOYSA-N
XLogP1.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methyl-1,2-thiazol-5-yl)acetic acid
CID 82372986
2,2-Difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 130882635
2-Fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 131121519
5-Methyl-3-isothiazoleacetic acid
CID 14791280
3-Methyl-2-(3-methyl-1,2-thiazol-5-yl)butanoic acid
CID 126985703
3-Methyl-2-(3-methyl-1,2-thiazol-5-yl)butanoic acid;2-methylpropane;2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 162032109
2-Iodopropane;3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butanoic acid;2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 163575361
3-(2-Methylpropyl)-1,2-thiazole-5-carboxylic acid
CID 82372955
2-(3-Tert-butyl-1,2-thiazol-5-yl)acetic acid
CID 82372987
2-(3-Ethyl-1,2-thiazol-5-yl)acetic acid
CID 82372988
2-[3-(2-Methylpropyl)-1,2-thiazol-5-yl]acetic acid
CID 82372990
2-(3-Cyclopropyl-1,2-thiazol-5-yl)acetic acid
CID 82372992

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid (CID 82372989) is 2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid is CC(C)c1cc(CC(=O)O)sn1.
What is the InChIKey of 2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid?
The InChIKey is XQFCSRIORCUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-5(2)7-3-6(12-9-7)4-8(10)11/h3,5H,4H2,1-2H3,(H,10,11).
What are the key properties of 2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid?
2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid has a molecular weight of 185.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82372989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).