2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C16H12N2O4S2 — CID 11726036

IUPAC2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1SC(c2ccco2)N(c2nc3ccccc3s2)C1=O
InChIInChI=1S/C16H12N2O4S2/c19-13(20)8-12-14(21)18(15(23-12)10-5-3-7-22-10)16-17-9-4-1-2-6-11(9)24-16/h1-7,12,15H,8H2,(H,19,20)
InChIKeyFROCQOWZQUSQPY-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.51
Rot. Bonds4

About 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 11726036) has the molecular formula C16H12N2O4S2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID11726036
Molecular FormulaC16H12N2O4S2
Molecular Weight360.42 g/mol
Exact Mass360.02
IUPAC Name2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1SC(c2ccco2)N(c2nc3ccccc3s2)C1=O
InChIInChI=1S/C16H12N2O4S2/c19-13(20)8-12-14(21)18(15(23-12)10-5-3-7-22-10)16-17-9-4-1-2-6-11(9)24-16/h1-7,12,15H,8H2,(H,19,20)
InChIKeyFROCQOWZQUSQPY-UHFFFAOYSA-N
XLogP3.51
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid with MolForge

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Related Compounds

2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 11141677
1-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108608646
1-(1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594512
(4E)-1-(1,3-benzothiazol-2-yl)-4-[(3-bromo-4-methoxyphenyl)-hydroxymethylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108608669
[3-(1,3-benzothiazol-2-yl)-2-oxo-1-pent-3-ynylimidazolidin-4-yl] furan-2-carboxylate
CID 70624496
3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one
CID 70624053
2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 10255741
2-(1,3-benzothiazol-2-yl)-4-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]-5-phenyl-4H-pyrazol-3-one
CID 7366158
[3-(1,3-benzothiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-2-oxoimidazolidin-4-yl] furan-2-carboxylate
CID 88808723
2-[(6R)-1-(1,3-benzothiazol-2-yl)-1,4-diazepan-6-yl]acetic acid
CID 95557731
(15S,19S)-17-(1,3-benzothiazol-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1115425
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 121109173

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 11726036) is 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is O=C(O)CC1SC(c2ccco2)N(c2nc3ccccc3s2)C1=O.
What is the InChIKey of 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is FROCQOWZQUSQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S2/c19-13(20)8-12-14(21)18(15(23-12)10-5-3-7-22-10)16-17-9-4-1-2-6-11(9)24-16/h1-7,12,15H,8H2,(H,19,20).
What are the key properties of 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 360.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 11726036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).