2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid

C11H7F3N2O3S — CID 106510066

IUPAC2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C11H7F3N2O3S/c12-11(13,14)19-6-3-1-5(2-4-6)8-7(9(17)18)16-10(15)20-8/h1-4H,(H2,15,16)(H,17,18)
InChIKeyGTHLSEBLACAQIZ-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid

2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106510066) has the molecular formula C11H7F3N2O3S and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106510066
Molecular FormulaC11H7F3N2O3S
Molecular Weight304.25 g/mol
Exact Mass304.01
IUPAC Name2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C11H7F3N2O3S/c12-11(13,14)19-6-3-1-5(2-4-6)8-7(9(17)18)16-10(15)20-8/h1-4H,(H2,15,16)(H,17,18)
InChIKeyGTHLSEBLACAQIZ-UHFFFAOYSA-N
XLogP2.99
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (CID 106510066) is 2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is Nc1nc(C(=O)O)c(-c2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of 2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is GTHLSEBLACAQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3S/c12-11(13,14)19-6-3-1-5(2-4-6)8-7(9(17)18)16-10(15)20-8/h1-4H,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).