2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid

C17H14N2O3S — CID 648360

IUPAC2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid
SMILESO=C(O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H14N2O3S/c20-15(21)11-14-16(22)19(13-9-5-2-6-10-13)17(23-14)18-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,20,21)/b18-17-
InChIKeyYHPXYKMSQIMFLO-ZCXUNETKSA-N
MW326.38 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid

2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 648360) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid
PubChem CID648360
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid
SMILESO=C(O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H14N2O3S/c20-15(21)11-14-16(22)19(13-9-5-2-6-10-13)17(23-14)18-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,20,21)/b18-17-
InChIKeyYHPXYKMSQIMFLO-ZCXUNETKSA-N
XLogP3.30
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Phenyl-5-(phenylimino)-4-thia-6-azaspiro[2.4]heptan-7-one
CID 2725900
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 5350958
[2-(Cycloheptylidene-hydrazono)-4-oxo-3-phenyl-thiazolidin-5-yl]-acetic acid
CID 6374050
2-[4-Oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetic acid
CID 135441055
2-[(2Z)-4-oxo-2-({4-[(E)-2-phenyldiazen-1-yl]phenyl}imino)-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetic acid amine
CID 16196361
2-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135408317
2-[2-(2-Fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136480438
3-(p-Bromophenyl)-2-(cyclohexylimino)-4-oxo-5-thiazolidineacetic acid
CID 217618
2-(Cyclopentylimino)-4-oxo-3-phenyl-5-thiazolidineacetic acid
CID 217959
3-(p-Chlorophenyl)-2-(cyclopentylimino)-4-oxo-5-thiazolidineacetic acid
CID 217960
3-(p-Bromophenyl)-2-(cyclopentylimino)-4-oxo-5-thiazolidineacetic acid
CID 217961

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid (CID 648360) is 2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid is O=C(O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is YHPXYKMSQIMFLO-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-15(21)11-14-16(22)19(13-9-5-2-6-10-13)17(23-14)18-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,20,21)/b18-17-.
What are the key properties of 2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid?
2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 326.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 648360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).