2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid

C7H7F3N2O2S — CID 80571433

IUPAC2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NCCC(F)(F)F)s1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)1-2-11-6-12-3-4(15-6)5(13)14/h3H,1-2H2,(H,11,12)(H,13,14)
InChIKeyWRPQXFXHAQUWRZ-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.21
Rot. Bonds4

About 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid

2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80571433) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID80571433
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NCCC(F)(F)F)s1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)1-2-11-6-12-3-4(15-6)5(13)14/h3H,1-2H2,(H,11,12)(H,13,14)
InChIKeyWRPQXFXHAQUWRZ-UHFFFAOYSA-N
XLogP2.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid (CID 80571433) is 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(NCCC(F)(F)F)s1.
What is the InChIKey of 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WRPQXFXHAQUWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)1-2-11-6-12-3-4(15-6)5(13)14/h3H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid?
2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).