[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate

C19H21F3N2O10S — CID 71745864

IUPAC[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](Nc2ncc(C(=O)C(F)(F)F)s2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C19H21F3N2O10S/c1-7(25)30-6-11-13(31-8(2)26)14(32-9(3)27)15(33-10(4)28)17(34-11)24-18-23-5-12(35-18)16(29)19(20,21)22/h5,11,13-15,17H,6H2,1-4H3,(H,23,24)/t11-,13-,14+,15+,17+/m1/s1
InChIKeyRCZZEGLVOUAMLD-ZJBDGZLFSA-N
MW526.44 g/mol
LogP1.38
Rot. Bonds8

About [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate

[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate (PubChem CID 71745864) has the molecular formula C19H21F3N2O10S and a molecular weight of 526.44 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate
PubChem CID71745864
Molecular FormulaC19H21F3N2O10S
Molecular Weight526.44 g/mol
Exact Mass526.09
IUPAC Name[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](Nc2ncc(C(=O)C(F)(F)F)s2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C19H21F3N2O10S/c1-7(25)30-6-11-13(31-8(2)26)14(32-9(3)27)15(33-10(4)28)17(34-11)24-18-23-5-12(35-18)16(29)19(20,21)22/h5,11,13-15,17H,6H2,1-4H3,(H,23,24)/t11-,13-,14+,15+,17+/m1/s1
InChIKeyRCZZEGLVOUAMLD-ZJBDGZLFSA-N
XLogP1.38
TPSA156.42 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate 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 [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate (CID 71745864) is [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](Nc2ncc(C(=O)C(F)(F)F)s2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate?
The InChIKey is RCZZEGLVOUAMLD-ZJBDGZLFSA-N. The full InChI is InChI=1S/C19H21F3N2O10S/c1-7(25)30-6-11-13(31-8(2)26)14(32-9(3)27)15(33-10(4)28)17(34-11)24-18-23-5-12(35-18)16(29)19(20,21)22/h5,11,13-15,17H,6H2,1-4H3,(H,23,24)/t11-,13-,14+,15+,17+/m1/s1.
What are the key properties of [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate?
[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate has a molecular weight of 526.44 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate is sourced from PubChem (CID 71745864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).