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

C9H11F3N2O2S — CID 58486432

IUPAC2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC)c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C9H11F3N2O2S/c1-3-14(4-2)8-13-6(9(10,11)12)5(17-8)7(15)16/h3-4H2,1-2H3,(H,15,16)
InChIKeyUXFYUJOXVVSMGY-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.71
Rot. Bonds4

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

2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 58486432) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID58486432
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC)c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C9H11F3N2O2S/c1-3-14(4-2)8-13-6(9(10,11)12)5(17-8)7(15)16/h3-4H2,1-2H3,(H,15,16)
InChIKeyUXFYUJOXVVSMGY-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-(trifluoromethyl)thiazole-5-carboxylic acid
CID 2735963
2-(Cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22411062
4-Methyl-2-morpholin-4-yl-thiazole-5-carboxylic acid
CID 6484194
4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 742073
2-(Dimethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 23509747
2-(Ethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132724
2-(Methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 130568907
4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic Acid
CID 7130874
Ethyl 2-(morpholin-4-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate
CID 1490754
2-[(4-ethyl-3H-1,2,4-triazol-2-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 18707692
2-(Butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19616611
2-(Tert-butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 20064725

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 58486432) is 2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is CCN(CC)c1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is UXFYUJOXVVSMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-3-14(4-2)8-13-6(9(10,11)12)5(17-8)7(15)16/h3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58486432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).