1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid

C11H16N2O2S — CID 65072203

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid
SMILESCc1nc(C)c(C(C)N2CC(C(=O)O)C2)s1
InChIInChI=1S/C11H16N2O2S/c1-6-10(16-8(3)12-6)7(2)13-4-9(5-13)11(14)15/h7,9H,4-5H2,1-3H3,(H,14,15)
InChIKeyYMKLLUVQRNLEGL-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.84
Rot. Bonds3

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid (PubChem CID 65072203) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid
PubChem CID65072203
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid
SMILESCc1nc(C)c(C(C)N2CC(C(=O)O)C2)s1
InChIInChI=1S/C11H16N2O2S/c1-6-10(16-8(3)12-6)7(2)13-4-9(5-13)11(14)15/h7,9H,4-5H2,1-3H3,(H,14,15)
InChIKeyYMKLLUVQRNLEGL-UHFFFAOYSA-N
XLogP1.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid (CID 65072203) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid is Cc1nc(C)c(C(C)N2CC(C(=O)O)C2)s1.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid?
The InChIKey is YMKLLUVQRNLEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-6-10(16-8(3)12-6)7(2)13-4-9(5-13)11(14)15/h7,9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 65072203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).