5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid

C7H7F3N2O2S — CID 64630086

IUPAC5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)1-2-11-5-4(6(13)14)12-3-15-5/h3,11H,1-2H2,(H,13,14)
InChIKeyIOYXROWAKOKKLP-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.21
Rot. Bonds4

About 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid

5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64630086) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64630086
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)1-2-11-5-4(6(13)14)12-3-15-5/h3,11H,1-2H2,(H,13,14)
InChIKeyIOYXROWAKOKKLP-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 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid (CID 64630086) is 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NCCC(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IOYXROWAKOKKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)1-2-11-5-4(6(13)14)12-3-15-5/h3,11H,1-2H2,(H,13,14).
What are the key properties of 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid?
5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-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 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64630086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).