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

C7H7F3N2O2S — CID 22411061

IUPAC2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCNc1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C7H7F3N2O2S/c1-2-11-6-12-4(7(8,9)10)3(15-6)5(13)14/h2H2,1H3,(H,11,12)(H,13,14)
InChIKeyNMUOWCTZXMWEDT-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.29
Rot. Bonds3

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

2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 22411061) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID22411061
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCNc1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C7H7F3N2O2S/c1-2-11-6-12-4(7(8,9)10)3(15-6)5(13)14/h2H2,1H3,(H,11,12)(H,13,14)
InChIKeyNMUOWCTZXMWEDT-UHFFFAOYSA-N
XLogP2.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 22411061) is 2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is CCNc1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NMUOWCTZXMWEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c1-2-11-6-12-4(7(8,9)10)3(15-6)5(13)14/h2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 22411061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).