2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C8H8F3N3O3S — CID 79258494

IUPAC2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNc1nc(C(=O)N(CC(=O)O)CC(F)(F)F)cs1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)3-14(1-5(15)16)6(17)4-2-18-7(12)13-4/h2H,1,3H2,(H2,12,13)(H,15,16)
InChIKeyVOYUABBFYJYXEV-UHFFFAOYSA-N
MW283.23 g/mol
LogP0.81
Rot. Bonds4

About 2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258494) has the molecular formula C8H8F3N3O3S and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258494
Molecular FormulaC8H8F3N3O3S
Molecular Weight283.23 g/mol
Exact Mass283.02
IUPAC Name2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNc1nc(C(=O)N(CC(=O)O)CC(F)(F)F)cs1
InChIInChI=1S/C8H8F3N3O3S/c9-8(10,11)3-14(1-5(15)16)6(17)4-2-18-7(12)13-4/h2H,1,3H2,(H2,12,13)(H,15,16)
InChIKeyVOYUABBFYJYXEV-UHFFFAOYSA-N
XLogP0.81
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258494) is 2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Nc1nc(C(=O)N(CC(=O)O)CC(F)(F)F)cs1.
What is the InChIKey of 2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VOYUABBFYJYXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3S/c9-8(10,11)3-14(1-5(15)16)6(17)4-2-18-7(12)13-4/h2H,1,3H2,(H2,12,13)(H,15,16).
What are the key properties of 2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 283.23 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).