5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

C11H10F3NO3S — CID 135324808

IUPAC5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESCOCC1=C(c2sc(C(F)(F)F)nc2C(=O)O)CC1
InChIInChI=1S/C11H10F3NO3S/c1-18-4-5-2-3-6(5)8-7(9(16)17)15-10(19-8)11(12,13)14/h2-4H2,1H3,(H,16,17)
InChIKeyPMAIBXVWJPYDBX-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.05
Rot. Bonds4

About 5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 135324808) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID135324808
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESCOCC1=C(c2sc(C(F)(F)F)nc2C(=O)O)CC1
InChIInChI=1S/C11H10F3NO3S/c1-18-4-5-2-3-6(5)8-7(9(16)17)15-10(19-8)11(12,13)14/h2-4H2,1H3,(H,16,17)
InChIKeyPMAIBXVWJPYDBX-UHFFFAOYSA-N
XLogP3.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11390631, Example 453
CID 126482693
Ethyl 5-(5-ethyl-4-azabicyclo[5.1.0]octa-1(7),2,4-trien-2-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 155136198
2,5-Dipentyl-1,3-thiazole-4-carboxylic acid
CID 68515461
5-Butyl-2-(methoxycarbonyl)-1,3-thiazole-4-carboxylic acid
CID 165529528
5-Butyl-2-(ethoxycarbonyl)-1,3-thiazole-4-carboxylic acid
CID 165745279
2-(Methoxycarbonyl)-5-pentyl-1,3-thiazole-4-carboxylic acid
CID 165802444
2-(Ethoxycarbonyl)-5-pentyl-1,3-thiazole-4-carboxylic acid
CID 165804564

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid (CID 135324808) is 5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid is COCC1=C(c2sc(C(F)(F)F)nc2C(=O)O)CC1.
What is the InChIKey of 5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is PMAIBXVWJPYDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c1-18-4-5-2-3-6(5)8-7(9(16)17)15-10(19-8)11(12,13)14/h2-4H2,1H3,(H,16,17).
What are the key properties of 5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)cyclobuten-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 135324808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).