4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid

C11H15NO2S — CID 121344335

IUPAC4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid
SMILESCCc1sc(C(=O)O)nc1CC1CCC1
InChIInChI=1S/C11H15NO2S/c1-2-9-8(6-7-4-3-5-7)12-10(15-9)11(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyJLJGHBNUMLHSHN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.75
Rot. Bonds4

About 4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid

4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid (PubChem CID 121344335) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid
PubChem CID121344335
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid
SMILESCCc1sc(C(=O)O)nc1CC1CCC1
InChIInChI=1S/C11H15NO2S/c1-2-9-8(6-7-4-3-5-7)12-10(15-9)11(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyJLJGHBNUMLHSHN-UHFFFAOYSA-N
XLogP2.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid (CID 121344335) is 4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid is CCc1sc(C(=O)O)nc1CC1CCC1.
What is the InChIKey of 4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is JLJGHBNUMLHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-9-8(6-7-4-3-5-7)12-10(15-9)11(13)14/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid?
4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-5-ethyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 121344335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).