5-cyclopropyl-1,3-thiazole-4-carboxylic acid

C7H7NO2S — CID 82412846

IUPAC5-cyclopropyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1C1CC1
InChIInChI=1S/C7H7NO2S/c9-7(10)5-6(4-1-2-4)11-3-8-5/h3-4H,1-2H2,(H,9,10)
InChIKeyTUQLGMBKBYEDMH-UHFFFAOYSA-N
MW169.21 g/mol
LogP1.72
Rot. Bonds2

About 5-cyclopropyl-1,3-thiazole-4-carboxylic acid

5-cyclopropyl-1,3-thiazole-4-carboxylic acid (PubChem CID 82412846) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is 5-cyclopropyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1,3-thiazole-4-carboxylic acid
PubChem CID82412846
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name5-cyclopropyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1C1CC1
InChIInChI=1S/C7H7NO2S/c9-7(10)5-6(4-1-2-4)11-3-8-5/h3-4H,1-2H2,(H,9,10)
InChIKeyTUQLGMBKBYEDMH-UHFFFAOYSA-N
XLogP1.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1,3-thiazole-4-carboxylic acid (CID 82412846) is 5-cyclopropyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is TUQLGMBKBYEDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-7(10)5-6(4-1-2-4)11-3-8-5/h3-4H,1-2H2,(H,9,10).
What are the key properties of 5-cyclopropyl-1,3-thiazole-4-carboxylic acid?
5-cyclopropyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 169.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82412846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).