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

C8H9NO2S — CID 82372992

IUPAC2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)ns1
InChIInChI=1S/C8H9NO2S/c10-8(11)4-6-3-7(9-12-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11)
InChIKeyHIOQWWBSUWBQRL-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.65
Rot. Bonds3

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

2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid (PubChem CID 82372992) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid
PubChem CID82372992
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)ns1
InChIInChI=1S/C8H9NO2S/c10-8(11)4-6-3-7(9-12-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11)
InChIKeyHIOQWWBSUWBQRL-UHFFFAOYSA-N
XLogP1.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.65
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-Fluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 131121519
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-(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-Propan-2-yl-1,2-thiazol-5-yl)acetic acid
CID 82372989
2-[3-(2-Methylpropyl)-1,2-thiazol-5-yl]acetic acid
CID 82372990
2-(3-Propan-2-yl-1,2-thiazol-5-yl)propanoic acid
CID 82397722
2-Cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 82398842
2-[1-(3-Methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid
CID 82398845
4-(3-Methyl-1,2-thiazol-5-yl)butanoic acid
CID 82406155

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid (CID 82372992) is 2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid is O=C(O)Cc1cc(C2CC2)ns1.
What is the InChIKey of 2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid?
The InChIKey is HIOQWWBSUWBQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-8(11)4-6-3-7(9-12-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11).
What are the key properties of 2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid?
2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid has a molecular weight of 183.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82372992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).