2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid

C7H9NO2S — CID 19845521

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1nc(CC(=O)O)sc1C
InChIInChI=1S/C7H9NO2S/c1-4-5(2)11-6(8-4)3-7(9)10/h3H2,1-2H3,(H,9,10)
InChIKeyICWJRGTUGSJISX-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.39
Rot. Bonds2

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid

2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 19845521) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid
PubChem CID19845521
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid
SMILESCc1nc(CC(=O)O)sc1C
InChIInChI=1S/C7H9NO2S/c1-4-5(2)11-6(8-4)3-7(9)10/h3H2,1-2H3,(H,9,10)
InChIKeyICWJRGTUGSJISX-UHFFFAOYSA-N
XLogP1.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid (CID 19845521) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid is Cc1nc(CC(=O)O)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is ICWJRGTUGSJISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-4-5(2)11-6(8-4)3-7(9)10/h3H2,1-2H3,(H,9,10).
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid?
2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 171.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 19845521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).