2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid

C10H11F3N2O2S — CID 80574519

IUPAC2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)5-15(7-1-2-7)9-14-6(4-18-9)3-8(16)17/h4,7H,1-3,5H2,(H,16,17)
InChIKeyFKZGDHPJSDFSSU-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.30
Rot. Bonds5

About 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 80574519) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID80574519
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)5-15(7-1-2-7)9-14-6(4-18-9)3-8(16)17/h4,7H,1-3,5H2,(H,16,17)
InChIKeyFKZGDHPJSDFSSU-UHFFFAOYSA-N
XLogP2.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 80574519) is 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is FKZGDHPJSDFSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-10(12,13)5-15(7-1-2-7)9-14-6(4-18-9)3-8(16)17/h4,7H,1-3,5H2,(H,16,17).
What are the key properties of 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 280.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80574519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).