2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid

C8H9NO2S — CID 130580399

IUPAC2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1ncc(C2CC2C(=O)O)s1
InChIInChI=1S/C8H9NO2S/c1-4-9-3-7(12-4)5-2-6(5)8(10)11/h3,5-6H,2H2,1H3,(H,10,11)
InChIKeyOOMUTYBGQXUCGQ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.64
Rot. Bonds2

About 2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid

2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 130580399) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID130580399
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1ncc(C2CC2C(=O)O)s1
InChIInChI=1S/C8H9NO2S/c1-4-9-3-7(12-4)5-2-6(5)8(10)11/h3,5-6H,2H2,1H3,(H,10,11)
InChIKeyOOMUTYBGQXUCGQ-UHFFFAOYSA-N
XLogP1.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid (CID 130580399) is 2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid is Cc1ncc(C2CC2C(=O)O)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is OOMUTYBGQXUCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-4-9-3-7(12-4)5-2-6(5)8(10)11/h3,5-6H,2H2,1H3,(H,10,11).
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130580399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).