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

C14H17NO3S — CID 82019199

IUPAC2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid
SMILESCCCN1C(=O)C(CC(=O)O)SC1c1ccccc1
InChIInChI=1S/C14H17NO3S/c1-2-8-15-13(18)11(9-12(16)17)19-14(15)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,16,17)
InChIKeyICQQXRAXWPNQPT-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.51
Rot. Bonds5

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

2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid (PubChem CID 82019199) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid
PubChem CID82019199
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid
SMILESCCCN1C(=O)C(CC(=O)O)SC1c1ccccc1
InChIInChI=1S/C14H17NO3S/c1-2-8-15-13(18)11(9-12(16)17)19-14(15)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,16,17)
InChIKeyICQQXRAXWPNQPT-UHFFFAOYSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid?
The IUPAC name of 2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid (CID 82019199) is 2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid is CCCN1C(=O)C(CC(=O)O)SC1c1ccccc1.
What is the InChIKey of 2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid?
The InChIKey is ICQQXRAXWPNQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-2-8-15-13(18)11(9-12(16)17)19-14(15)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid?
2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid has a molecular weight of 279.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid is sourced from PubChem (CID 82019199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).