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

C6HF6NO2S — CID 18465487

IUPAC2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C6HF6NO2S/c7-5(8,9)2-1(3(14)15)16-4(13-2)6(10,11)12/h(H,14,15)
InChIKeySLGPRBIIGCUDMQ-UHFFFAOYSA-N
MW265.13 g/mol
LogP2.88
Rot. Bonds1

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

2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 18465487) has the molecular formula C6HF6NO2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID18465487
Molecular FormulaC6HF6NO2S
Molecular Weight265.13 g/mol
Exact Mass264.96
IUPAC Name2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C6HF6NO2S/c7-5(8,9)2-1(3(14)15)16-4(13-2)6(10,11)12/h(H,14,15)
InChIKeySLGPRBIIGCUDMQ-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 18465487) is 2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SLGPRBIIGCUDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF6NO2S/c7-5(8,9)2-1(3(14)15)16-4(13-2)6(10,11)12/h(H,14,15).
What are the key properties of 2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 265.13 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18465487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).