4-cyclobutyl-1,3-thiazole-2-carboxylic acid

C8H9NO2S — CID 86646410

IUPAC4-cyclobutyl-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(C2CCC2)cs1
InChIInChI=1S/C8H9NO2S/c10-8(11)7-9-6(4-12-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyVRUYPUROWLPLDQ-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.11
Rot. Bonds2

About 4-cyclobutyl-1,3-thiazole-2-carboxylic acid

4-cyclobutyl-1,3-thiazole-2-carboxylic acid (PubChem CID 86646410) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-cyclobutyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyl-1,3-thiazole-2-carboxylic acid
PubChem CID86646410
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name4-cyclobutyl-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(C2CCC2)cs1
InChIInChI=1S/C8H9NO2S/c10-8(11)7-9-6(4-12-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyVRUYPUROWLPLDQ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-cyclobutyl-1,3-thiazole-2-carboxylic acid (CID 86646410) is 4-cyclobutyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-cyclobutyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-cyclobutyl-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(C2CCC2)cs1.
What is the InChIKey of 4-cyclobutyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is VRUYPUROWLPLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-8(11)7-9-6(4-12-7)5-2-1-3-5/h4-5H,1-3H2,(H,10,11).
What are the key properties of 4-cyclobutyl-1,3-thiazole-2-carboxylic acid?
4-cyclobutyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 86646410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).