[(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate

C16H16N2O5S — CID 166358506

IUPAC[(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate
SMILESNc1nc(-c2ccccc2)c(CC(=O)OC[C@H]2OC(=O)C[C@@H]2O)s1
InChIInChI=1S/C16H16N2O5S/c17-16-18-15(9-4-2-1-3-5-9)12(24-16)7-13(20)22-8-11-10(19)6-14(21)23-11/h1-5,10-11,19H,6-8H2,(H2,17,18)/t10-,11+/m0/s1
InChIKeyZOZIIKXEVFTPFQ-WDEREUQCSA-N
MW348.38 g/mol
LogP1.15
Rot. Bonds5

About [(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate

[(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate (PubChem CID 166358506) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is [(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Name[(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate
PubChem CID166358506
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name[(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate
SMILESNc1nc(-c2ccccc2)c(CC(=O)OC[C@H]2OC(=O)C[C@@H]2O)s1
InChIInChI=1S/C16H16N2O5S/c17-16-18-15(9-4-2-1-3-5-9)12(24-16)7-13(20)22-8-11-10(19)6-14(21)23-11/h1-5,10-11,19H,6-8H2,(H2,17,18)/t10-,11+/m0/s1
InChIKeyZOZIIKXEVFTPFQ-WDEREUQCSA-N
XLogP1.15
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of [(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate (CID 166358506) is [(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for [(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for [(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate is Nc1nc(-c2ccccc2)c(CC(=O)OC[C@H]2OC(=O)C[C@@H]2O)s1.
What is the InChIKey of [(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate?
The InChIKey is ZOZIIKXEVFTPFQ-WDEREUQCSA-N. The full InChI is InChI=1S/C16H16N2O5S/c17-16-18-15(9-4-2-1-3-5-9)12(24-16)7-13(20)22-8-11-10(19)6-14(21)23-11/h1-5,10-11,19H,6-8H2,(H2,17,18)/t10-,11+/m0/s1.
What are the key properties of [(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate?
[(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate has a molecular weight of 348.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 166358506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).