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

C10H10F3N3O4S — CID 79265062

IUPAC2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(=O)Nc1nc(C(=O)N(CC(=O)O)CC(F)(F)F)cs1
InChIInChI=1S/C10H10F3N3O4S/c1-5(17)14-9-15-6(3-21-9)8(20)16(2-7(18)19)4-10(11,12)13/h3H,2,4H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyWSYUJTCHUWJCGS-UHFFFAOYSA-N
MW325.27 g/mol
LogP1.19
Rot. Bonds5

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

2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265062) has the molecular formula C10H10F3N3O4S and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265062
Molecular FormulaC10H10F3N3O4S
Molecular Weight325.27 g/mol
Exact Mass325.03
IUPAC Name2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(=O)Nc1nc(C(=O)N(CC(=O)O)CC(F)(F)F)cs1
InChIInChI=1S/C10H10F3N3O4S/c1-5(17)14-9-15-6(3-21-9)8(20)16(2-7(18)19)4-10(11,12)13/h3H,2,4H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyWSYUJTCHUWJCGS-UHFFFAOYSA-N
XLogP1.19
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265062) is 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC(=O)Nc1nc(C(=O)N(CC(=O)O)CC(F)(F)F)cs1.
What is the InChIKey of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WSYUJTCHUWJCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O4S/c1-5(17)14-9-15-6(3-21-9)8(20)16(2-7(18)19)4-10(11,12)13/h3H,2,4H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 325.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).