2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C7H7F3N2O2S — CID 58486398

IUPAC2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCN(C)c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C7H7F3N2O2S/c1-12(2)6-11-4(7(8,9)10)3(15-6)5(13)14/h1-2H3,(H,13,14)
InChIKeyBAHOYLGSCJVZGA-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.93
Rot. Bonds2

About 2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 58486398) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID58486398
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCN(C)c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C7H7F3N2O2S/c1-12(2)6-11-4(7(8,9)10)3(15-6)5(13)14/h1-2H3,(H,13,14)
InChIKeyBAHOYLGSCJVZGA-UHFFFAOYSA-N
XLogP1.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 58486398) is 2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is CN(C)c1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BAHOYLGSCJVZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c1-12(2)6-11-4(7(8,9)10)3(15-6)5(13)14/h1-2H3,(H,13,14).
What are the key properties of 2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58486398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).