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

C10H13F3N2O2S — CID 80574824

IUPAC2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCCN(CC(F)(F)F)c1nc(CC(=O)O)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-2-3-15(6-10(11,12)13)9-14-7(5-18-9)4-8(16)17/h5H,2-4,6H2,1H3,(H,16,17)
InChIKeyDDBAYMZWIZIXHA-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.55
Rot. Bonds6

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

2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 80574824) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID80574824
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCCCN(CC(F)(F)F)c1nc(CC(=O)O)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-2-3-15(6-10(11,12)13)9-14-7(5-18-9)4-8(16)17/h5H,2-4,6H2,1H3,(H,16,17)
InChIKeyDDBAYMZWIZIXHA-UHFFFAOYSA-N
XLogP2.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 80574824) is 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid is CCCN(CC(F)(F)F)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DDBAYMZWIZIXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-2-3-15(6-10(11,12)13)9-14-7(5-18-9)4-8(16)17/h5H,2-4,6H2,1H3,(H,16,17).
What are the key properties of 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 282.29 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80574824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).