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

C6H3F5N2O2S — CID 87170144

IUPAC2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid
SMILESNc1nc(C(F)(F)C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C6H3F5N2O2S/c7-5(8,6(9,10)11)2-1(3(14)15)16-4(12)13-2/h(H2,12,13)(H,14,15)
InChIKeyTWCYXJABNVTLPZ-UHFFFAOYSA-N
MW262.16 g/mol
LogP2.08
Rot. Bonds2

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

2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 87170144) has the molecular formula C6H3F5N2O2S and a molecular weight of 262.16 g/mol. Its IUPAC name is 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID87170144
Molecular FormulaC6H3F5N2O2S
Molecular Weight262.16 g/mol
Exact Mass261.98
IUPAC Name2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid
SMILESNc1nc(C(F)(F)C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C6H3F5N2O2S/c7-5(8,6(9,10)11)2-1(3(14)15)16-4(12)13-2/h(H2,12,13)(H,14,15)
InChIKeyTWCYXJABNVTLPZ-UHFFFAOYSA-N
XLogP2.08
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid (CID 87170144) is 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid is Nc1nc(C(F)(F)C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is TWCYXJABNVTLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2O2S/c7-5(8,6(9,10)11)2-1(3(14)15)16-4(12)13-2/h(H2,12,13)(H,14,15).
What are the key properties of 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid?
2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 262.16 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 87170144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).