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

C5HClF3NO2S — CID 13282743

IUPAC2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C5HClF3NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12)
InChIKeyOGZUWSFEZCBGPH-UHFFFAOYSA-N
MW231.58 g/mol
LogP2.51
Rot. Bonds1

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

2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 13282743) has the molecular formula C5HClF3NO2S and a molecular weight of 231.58 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID13282743
Molecular FormulaC5HClF3NO2S
Molecular Weight231.58 g/mol
Exact Mass230.94
IUPAC Name2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C5HClF3NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12)
InChIKeyOGZUWSFEZCBGPH-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.58
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 13282743) is 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OGZUWSFEZCBGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF3NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12).
What are the key properties of 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 231.58 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 13282743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).