2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H11F3N2O2S — CID 79258565

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nc(N(CC(=O)O)CC(F)(F)F)sc1C
InChIInChI=1S/C9H11F3N2O2S/c1-5-6(2)17-8(13-5)14(3-7(15)16)4-9(10,11)12/h3-4H2,1-2H3,(H,15,16)
InChIKeyNOZHOVXVPRUHCN-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.21
Rot. Bonds4

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258565) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258565
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nc(N(CC(=O)O)CC(F)(F)F)sc1C
InChIInChI=1S/C9H11F3N2O2S/c1-5-6(2)17-8(13-5)14(3-7(15)16)4-9(10,11)12/h3-4H2,1-2H3,(H,15,16)
InChIKeyNOZHOVXVPRUHCN-UHFFFAOYSA-N
XLogP2.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258565) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1nc(N(CC(=O)O)CC(F)(F)F)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is NOZHOVXVPRUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-5-6(2)17-8(13-5)14(3-7(15)16)4-9(10,11)12/h3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 268.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).