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

C10H12F3N3O3S — CID 79258183

IUPAC2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1csc(NC(=O)CN(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3S/c1-6-4-20-9(14-6)15-7(17)2-16(3-8(18)19)5-10(11,12)13/h4H,2-3,5H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyTVPSRRJALUCJCN-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.34
Rot. Bonds6

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

2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258183) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258183
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC Name2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1csc(NC(=O)CN(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3S/c1-6-4-20-9(14-6)15-7(17)2-16(3-8(18)19)5-10(11,12)13/h4H,2-3,5H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyTVPSRRJALUCJCN-UHFFFAOYSA-N
XLogP1.34
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 3842659
CID 3842659
CID 3496405
CID 3496405
CID 16195095
CID 16195095
CID 44565686
CID 44565686
CID 3229599
CID 3229599
CID 24710032
CID 24710032
CID 43468858
CID 43468858
CID 47084639
CID 47084639
CID 75446296
CID 75446296
CID 99801150
CID 99801150
CID 120964964
CID 120964964
CID 57634132
CID 57634132

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258183) is 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1csc(NC(=O)CN(CC(=O)O)CC(F)(F)F)n1.
What is the InChIKey of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is TVPSRRJALUCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3S/c1-6-4-20-9(14-6)15-7(17)2-16(3-8(18)19)5-10(11,12)13/h4H,2-3,5H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 311.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).