4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid

C15H13NO4S — CID 967754

IUPAC4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
SMILESO=C(O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C15H13NO4S/c17-13-9-21-14(16(13)8-12-2-1-7-20-12)10-3-5-11(6-4-10)15(18)19/h1-7,14H,8-9H2,(H,18,19)/t14-/m1/s1
InChIKeyUYPGASJOMVHERA-CQSZACIVSA-N
MW303.34 g/mol
LogP2.75
Rot. Bonds4

About 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid

4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid (PubChem CID 967754) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
PubChem CID967754
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
SMILESO=C(O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C15H13NO4S/c17-13-9-21-14(16(13)8-12-2-1-7-20-12)10-3-5-11(6-4-10)15(18)19/h1-7,14H,8-9H2,(H,18,19)/t14-/m1/s1
InChIKeyUYPGASJOMVHERA-CQSZACIVSA-N
XLogP2.75
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(furan-2-ylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 124550291
N-ethyl-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 967750
2-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 4256729
N-(2,6-difluorophenyl)-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 989334
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-phenylpropyl]benzamide
CID 30396912
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 7421671
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylpropyl]benzamide
CID 30396915
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92684153
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide
CID 41066332
N-[(2-chlorophenyl)methyl]-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 3883772
N-(2,3-dimethylphenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 4033935
4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 7423535

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid?
The IUPAC name of 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid (CID 967754) is 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid.
What is the SMILES notation for 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid?
The canonical SMILES for 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid is O=C(O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid?
The InChIKey is UYPGASJOMVHERA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-13-9-21-14(16(13)8-12-2-1-7-20-12)10-3-5-11(6-4-10)15(18)19/h1-7,14H,8-9H2,(H,18,19)/t14-/m1/s1.
What are the key properties of 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid?
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid has a molecular weight of 303.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid is sourced from PubChem (CID 967754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).