1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid

C9H11NO2S — CID 82607026

IUPAC1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
SMILESCc1nc(C2(C(=O)O)CCC2)cs1
InChIInChI=1S/C9H11NO2S/c1-6-10-7(5-13-6)9(8(11)12)3-2-4-9/h5H,2-4H2,1H3,(H,11,12)
InChIKeyIFIROJNIWQCHLO-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.96
Rot. Bonds2

About 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid

1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid (PubChem CID 82607026) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
PubChem CID82607026
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
SMILESCc1nc(C2(C(=O)O)CCC2)cs1
InChIInChI=1S/C9H11NO2S/c1-6-10-7(5-13-6)9(8(11)12)3-2-4-9/h5H,2-4H2,1H3,(H,11,12)
InChIKeyIFIROJNIWQCHLO-UHFFFAOYSA-N
XLogP1.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid (CID 82607026) is 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid is Cc1nc(C2(C(=O)O)CCC2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
The InChIKey is IFIROJNIWQCHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6-10-7(5-13-6)9(8(11)12)3-2-4-9/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 82607026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).