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

C5H3F3N2O2S — CID 22905818

IUPAC4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(C(F)(F)F)nsc1C(=O)O
InChIInChI=1S/C5H3F3N2O2S/c6-5(7,8)3-1(9)2(4(11)12)13-10-3/h9H2,(H,11,12)
InChIKeyXXTXLWYMBMURMN-UHFFFAOYSA-N
MW212.15 g/mol
LogP1.44
Rot. Bonds1

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

4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 22905818) has the molecular formula C5H3F3N2O2S and a molecular weight of 212.15 g/mol. Its IUPAC name is 4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid
PubChem CID22905818
Molecular FormulaC5H3F3N2O2S
Molecular Weight212.15 g/mol
Exact Mass211.99
IUPAC Name4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(C(F)(F)F)nsc1C(=O)O
InChIInChI=1S/C5H3F3N2O2S/c6-5(7,8)3-1(9)2(4(11)12)13-10-3/h9H2,(H,11,12)
InChIKeyXXTXLWYMBMURMN-UHFFFAOYSA-N
XLogP1.44
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid (CID 22905818) is 4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid is Nc1c(C(F)(F)F)nsc1C(=O)O.
What is the InChIKey of 4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is XXTXLWYMBMURMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2S/c6-5(7,8)3-1(9)2(4(11)12)13-10-3/h9H2,(H,11,12).
What are the key properties of 4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid?
4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 212.15 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(trifluoromethyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 22905818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).