2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C11H12F3N3O3S — CID 79264171

IUPAC2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C11H12F3N3O3S/c12-11(13,14)5-17(4-8(18)19)10(20)16-9-15-6-2-1-3-7(6)21-9/h1-5H2,(H,18,19)(H,15,16,20)
InChIKeyUGLHJXCUENKUGL-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.11
Rot. Bonds4

About 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264171) has the molecular formula C11H12F3N3O3S and a molecular weight of 323.30 g/mol. Its IUPAC name is 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264171
Molecular FormulaC11H12F3N3O3S
Molecular Weight323.30 g/mol
Exact Mass323.06
IUPAC Name2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C11H12F3N3O3S/c12-11(13,14)5-17(4-8(18)19)10(20)16-9-15-6-2-1-3-7(6)21-9/h1-5H2,(H,18,19)(H,15,16,20)
InChIKeyUGLHJXCUENKUGL-UHFFFAOYSA-N
XLogP2.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264171) is 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UGLHJXCUENKUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3S/c12-11(13,14)5-17(4-8(18)19)10(20)16-9-15-6-2-1-3-7(6)21-9/h1-5H2,(H,18,19)(H,15,16,20).
What are the key properties of 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 323.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).