1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid

C10H11NO3S — CID 69240200

IUPAC1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC1C(=O)c1nccs1
InChIInChI=1S/C10H11NO3S/c1-10(9(13)14)3-2-6(10)7(12)8-11-4-5-15-8/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyMKGOVTNRMHUVOD-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.83
Rot. Bonds3

About 1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid

1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 69240200) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID69240200
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC1C(=O)c1nccs1
InChIInChI=1S/C10H11NO3S/c1-10(9(13)14)3-2-6(10)7(12)8-11-4-5-15-8/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyMKGOVTNRMHUVOD-UHFFFAOYSA-N
XLogP1.83
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid (CID 69240200) is 1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid is CC1(C(=O)O)CCC1C(=O)c1nccs1.
What is the InChIKey of 1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is MKGOVTNRMHUVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-10(9(13)14)3-2-6(10)7(12)8-11-4-5-15-8/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid?
1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 69240200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).