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

C8H11NO2S — CID 18758903

IUPAC2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid
SMILESCC(C)c1nc(CC(=O)O)cs1
InChIInChI=1S/C8H11NO2S/c1-5(2)8-9-6(4-12-8)3-7(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyQAHUPGYNFRCHGD-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.89
Rot. Bonds3

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

2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid (PubChem CID 18758903) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid
PubChem CID18758903
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid
SMILESCC(C)c1nc(CC(=O)O)cs1
InChIInChI=1S/C8H11NO2S/c1-5(2)8-9-6(4-12-8)3-7(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyQAHUPGYNFRCHGD-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid (CID 18758903) is 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid is CC(C)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is QAHUPGYNFRCHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-5(2)8-9-6(4-12-8)3-7(10)11/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid?
2-(2-propan-2-yl-1,3-thiazol-4-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-(2-propan-2-yl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 18758903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).