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

C11H10N2O3S — CID 135441055

IUPAC2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid
SMILESO=C(O)CC1S/C(=N\c2ccccc2)NC1=O
InChIInChI=1S/C11H10N2O3S/c14-9(15)6-8-10(16)13-11(17-8)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,15)(H,12,13,16)
InChIKeyRSSOQQYOYNMIOZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.38
Rot. Bonds3

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

2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 135441055) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid
PubChem CID135441055
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid
SMILESO=C(O)CC1S/C(=N\c2ccccc2)NC1=O
InChIInChI=1S/C11H10N2O3S/c14-9(15)6-8-10(16)13-11(17-8)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,15)(H,12,13,16)
InChIKeyRSSOQQYOYNMIOZ-UHFFFAOYSA-N
XLogP1.38
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid (CID 135441055) is 2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid is O=C(O)CC1S/C(=N\c2ccccc2)NC1=O.
What is the InChIKey of 2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is RSSOQQYOYNMIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-9(15)6-8-10(16)13-11(17-8)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,15)(H,12,13,16).
What are the key properties of 2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid?
2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 250.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 135441055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).