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

C5H3F3N2O2S — CID 2735963

IUPAC2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESNc1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1(3(11)12)13-4(9)10-2/h(H2,9,10)(H,11,12)
InChIKeyNGMYYADEHCNLGO-UHFFFAOYSA-N
MW212.15 g/mol
LogP1.44
Rot. Bonds1

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

2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 2735963) has the molecular formula C5H3F3N2O2S and a molecular weight of 212.15 g/mol. Its IUPAC name is 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID2735963
Molecular FormulaC5H3F3N2O2S
Molecular Weight212.15 g/mol
Exact Mass211.99
IUPAC Name2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESNc1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1(3(11)12)13-4(9)10-2/h(H2,9,10)(H,11,12)
InChIKeyNGMYYADEHCNLGO-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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Related Compounds

5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
CID 67656
2-Amino-4-methyl-thiazole-5-carboxylic acid
CID 832243
2-Chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 13282743
4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 742073
2-Amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 28875570
2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 22337512
2-(Methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 130568907
2,4-Bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 18465487
2-(Butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19616611
2-Fluoro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885531
2-(Tert-butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 20064725
2-Tert-butoxycarbonyloxyamino-4-trifluoromethyl-thiazole-5-carboxylic acid
CID 21911303

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 2735963) is 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is Nc1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NGMYYADEHCNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1(3(11)12)13-4(9)10-2/h(H2,9,10)(H,11,12).
What are the key properties of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-amino-4-(trifluoromethyl)-1,3-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 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 2735963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).