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

C16H12N2O5S — CID 2310898

IUPAC2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@H]1S/C(=N\C(=O)c2ccco2)N(c2ccccc2)C1=O
InChIInChI=1S/C16H12N2O5S/c19-13(20)9-12-15(22)18(10-5-2-1-3-6-10)16(24-12)17-14(21)11-7-4-8-23-11/h1-8,12H,9H2,(H,19,20)/b17-16-/t12-/m1/s1
InChIKeyQZLIYIRNKHHIQU-WGKGOADCSA-N
MW344.35 g/mol
LogP2.40
Rot. Bonds4

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

2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 2310898) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
PubChem CID2310898
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC Name2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@H]1S/C(=N\C(=O)c2ccco2)N(c2ccccc2)C1=O
InChIInChI=1S/C16H12N2O5S/c19-13(20)9-12-15(22)18(10-5-2-1-3-6-10)16(24-12)17-14(21)11-7-4-8-23-11/h1-8,12H,9H2,(H,19,20)/b17-16-/t12-/m1/s1
InChIKeyQZLIYIRNKHHIQU-WGKGOADCSA-N
XLogP2.40
TPSA100.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-furamide
CID 1379493
(Z)-N-(4-oxo-3-phenylthiazolidin-2-ylidene)furan-2-carboxamide
CID 1379458
N-(2,4-difluorophenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-thiazepin-2-yl)furan-2-carboxamide
CID 2730729
(5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one
CID 5948479
(Z)-N-(3,4-diphenylthiazol-2(3H)-ylidene)furan-2-carboxamide
CID 776030
2-[2-(furan-2-ylmethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 136217859
2-(3-(4-Fluorophenyl)-2-{(E)-2-[(E)-1-(2-furyl)methylidene]hydrazono}-4-oxo-1,3-thiazolan-5-YL)acetic acid
CID 9613869
{(2Z)-3-(4-fluorophenyl)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
CID 9620454
(2-{[1-(2-Furyl)ethylidene]hydrazono}-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid
CID 9600041
(5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-[(3S)-2-oxooxolan-3-yl]sulfanylimidazol-4-one
CID 2485778
(5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-[(3R)-2-oxooxolan-3-yl]sulfanylimidazol-4-one
CID 2485782
N-(3-fluorophenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-thiazepin-2-yl)furan-2-carboxamide
CID 2730728

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (CID 2310898) is 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is O=C(O)C[C@H]1S/C(=N\C(=O)c2ccco2)N(c2ccccc2)C1=O.
What is the InChIKey of 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is QZLIYIRNKHHIQU-WGKGOADCSA-N. The full InChI is InChI=1S/C16H12N2O5S/c19-13(20)9-12-15(22)18(10-5-2-1-3-6-10)16(24-12)17-14(21)11-7-4-8-23-11/h1-8,12H,9H2,(H,19,20)/b17-16-/t12-/m1/s1.
What are the key properties of 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 344.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 2310898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).