2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid

C7H6ClF3N2O2S — CID 107124372

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(NCC(F)(F)F)c1ncc(Cl)s1
InChIInChI=1S/C7H6ClF3N2O2S/c8-3-1-12-5(16-3)4(6(14)15)13-2-7(9,10)11/h1,4,13H,2H2,(H,14,15)
InChIKeyBDOKBANWKIRVMI-UHFFFAOYSA-N
MW274.65 g/mol
LogP2.07
Rot. Bonds4

About 2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid

2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid (PubChem CID 107124372) has the molecular formula C7H6ClF3N2O2S and a molecular weight of 274.65 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
PubChem CID107124372
Molecular FormulaC7H6ClF3N2O2S
Molecular Weight274.65 g/mol
Exact Mass273.98
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(NCC(F)(F)F)c1ncc(Cl)s1
InChIInChI=1S/C7H6ClF3N2O2S/c8-3-1-12-5(16-3)4(6(14)15)13-2-7(9,10)11/h1,4,13H,2H2,(H,14,15)
InChIKeyBDOKBANWKIRVMI-UHFFFAOYSA-N
XLogP2.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid (CID 107124372) is 2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid is O=C(O)C(NCC(F)(F)F)c1ncc(Cl)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
The InChIKey is BDOKBANWKIRVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2S/c8-3-1-12-5(16-3)4(6(14)15)13-2-7(9,10)11/h1,4,13H,2H2,(H,14,15).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid?
2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid has a molecular weight of 274.65 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 107124372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).