methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate

C10H11NO4S — CID 129362185

IUPACmethyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
SMILESCOC(=O)CN1C(=O)CS[C@H]1c1ccco1
InChIInChI=1S/C10H11NO4S/c1-14-9(13)5-11-8(12)6-16-10(11)7-3-2-4-15-7/h2-4,10H,5-6H2,1H3/t10-/m0/s1
InChIKeyRVFCDXVZGJYOFE-JTQLQIEISA-N
MW241.27 g/mol
LogP1.03
Rot. Bonds3

About methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate

methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate (PubChem CID 129362185) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
PubChem CID129362185
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Namemethyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
SMILESCOC(=O)CN1C(=O)CS[C@H]1c1ccco1
InChIInChI=1S/C10H11NO4S/c1-14-9(13)5-11-8(12)6-16-10(11)7-3-2-4-15-7/h2-4,10H,5-6H2,1H3/t10-/m0/s1
InChIKeyRVFCDXVZGJYOFE-JTQLQIEISA-N
XLogP1.03
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3800198
(2R)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 92530307
methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
CID 23908643
(2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one
CID 44613947
[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-[[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]methyl]-6-methoxyoxan-3-yl] acetate
CID 44613600
ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3867158
methyl 2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetate
CID 95632349
N-(furan-2-ylmethyl)-2-[(2R)-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 93084342
3-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3860765
methyl 2-[(2S,3S)-2-(furan-2-yl)-4-oxo-3-phenoxyazetidin-1-yl]acetate
CID 101189036
2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 42814442
3-(4-benzoylphenyl)-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 10521764

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The IUPAC name of methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate (CID 129362185) is methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate is COC(=O)CN1C(=O)CS[C@H]1c1ccco1.
What is the InChIKey of methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
The InChIKey is RVFCDXVZGJYOFE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11NO4S/c1-14-9(13)5-11-8(12)6-16-10(11)7-3-2-4-15-7/h2-4,10H,5-6H2,1H3/t10-/m0/s1.
What are the key properties of methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate?
methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate has a molecular weight of 241.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate is sourced from PubChem (CID 129362185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).