2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid

C14H17F3N2O5S — CID 119249072

IUPAC2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid
SMILESCc1csc(C(O)(CC(=O)N2CCOC(CC(=O)O)C2)C(F)(F)F)n1
InChIInChI=1S/C14H17F3N2O5S/c1-8-7-25-12(18-8)13(23,14(15,16)17)5-10(20)19-2-3-24-9(6-19)4-11(21)22/h7,9,23H,2-6H2,1H3,(H,21,22)
InChIKeyCPOHUYVIZOPZCJ-UHFFFAOYSA-N
MW382.36 g/mol
LogP1.29
Rot. Bonds5

About 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid

2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid (PubChem CID 119249072) has the molecular formula C14H17F3N2O5S and a molecular weight of 382.36 g/mol. Its IUPAC name is 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid
PubChem CID119249072
Molecular FormulaC14H17F3N2O5S
Molecular Weight382.36 g/mol
Exact Mass382.08
IUPAC Name2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid
SMILESCc1csc(C(O)(CC(=O)N2CCOC(CC(=O)O)C2)C(F)(F)F)n1
InChIInChI=1S/C14H17F3N2O5S/c1-8-7-25-12(18-8)13(23,14(15,16)17)5-10(20)19-2-3-24-9(6-19)4-11(21)22/h7,9,23H,2-6H2,1H3,(H,21,22)
InChIKeyCPOHUYVIZOPZCJ-UHFFFAOYSA-N
XLogP1.29
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid (CID 119249072) is 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid is Cc1csc(C(O)(CC(=O)N2CCOC(CC(=O)O)C2)C(F)(F)F)n1.
What is the InChIKey of 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid?
The InChIKey is CPOHUYVIZOPZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O5S/c1-8-7-25-12(18-8)13(23,14(15,16)17)5-10(20)19-2-3-24-9(6-19)4-11(21)22/h7,9,23H,2-6H2,1H3,(H,21,22).
What are the key properties of 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid?
2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid has a molecular weight of 382.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119249072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).