(2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one

C15H14N2O6S — CID 7122903

IUPAC(2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc([C@@H]2SCC(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H14N2O6S/c1-22-12-6-9(5-11(14(12)19)17(20)21)15-16(13(18)8-24-15)7-10-3-2-4-23-10/h2-6,15,19H,7-8H2,1H3/t15-/m0/s1
InChIKeyCJZTWMBUCBKSKP-HNNXBMFYSA-N
MW350.35 g/mol
LogP2.68
Rot. Bonds5

About (2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one

(2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 7122903) has the molecular formula C15H14N2O6S and a molecular weight of 350.35 g/mol. Its IUPAC name is (2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID7122903
Molecular FormulaC15H14N2O6S
Molecular Weight350.35 g/mol
Exact Mass350.06
IUPAC Name(2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc([C@@H]2SCC(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H14N2O6S/c1-22-12-6-9(5-11(14(12)19)17(20)21)15-16(13(18)8-24-15)7-10-3-2-4-23-10/h2-6,15,19H,7-8H2,1H3/t15-/m0/s1
InChIKeyCJZTWMBUCBKSKP-HNNXBMFYSA-N
XLogP2.68
TPSA106.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126415978
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 132611212
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
CID 967754
N-ethyl-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 967750
3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 42814889
3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-thiazinan-4-one
CID 3717202
3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one
CID 6482984
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 94862615
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 7423535
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
CID 99964311
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
(2R)-3-(furan-2-ylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 124550291

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one (CID 7122903) is (2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one is COc1cc([C@@H]2SCC(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1O.
What is the InChIKey of (2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is CJZTWMBUCBKSKP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14N2O6S/c1-22-12-6-9(5-11(14(12)19)17(20)21)15-16(13(18)8-24-15)7-10-3-2-4-23-10/h2-6,15,19H,7-8H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one?
(2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 350.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(furan-2-ylmethyl)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 7122903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).