3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid

C6H8N2O3S — CID 135468896

IUPAC3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid
SMILESO=C(O)CC/N=C1/NC(=O)CS1
InChIInChI=1S/C6H8N2O3S/c9-4-3-12-6(8-4)7-2-1-5(10)11/h1-3H2,(H,10,11)(H,7,8,9)
InChIKeyKJMVRLYBMMSINS-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.32
Rot. Bonds3

About 3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid

3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid (PubChem CID 135468896) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid
PubChem CID135468896
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid
SMILESO=C(O)CC/N=C1/NC(=O)CS1
InChIInChI=1S/C6H8N2O3S/c9-4-3-12-6(8-4)7-2-1-5(10)11/h1-3H2,(H,10,11)(H,7,8,9)
InChIKeyKJMVRLYBMMSINS-UHFFFAOYSA-N
XLogP-0.32
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4,5-Dihydro-1,3-thiazol-2-ylamino)propanoic acid
CID 10702379
3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoic acid
CID 68210523
3-(2-Methylimino-1,3-thiazolidin-3-ium-3-yl)propanoic acid
CID 4577966
3-[2-(Azaethylidene)-1,3-thiazolidin-3-yl]propanoic acid, oxamethane, chloride
CID 18529727
3-[(5-Oxo-1,4-dihydroimidazol-2-yl)sulfanyl]propanoic acid
CID 122707358
2-[(4-Oxo-1,3-thiazolin-2-yl)amino]acetic acid
CID 135399113
3-[(4-Oxo-1,3-thiazolidin-2-ylidene)amino]propanoate
CID 135468895
2-(3-Hydroxypropylimino)-1,3-thiazolidin-4-one
CID 137163338
2-Acetamido-4-methyl-4,5-dihydrothiazole-5-carboxylic acid
CID 171397366

Frequently Asked Questions

What is the IUPAC name of 3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid?
The IUPAC name of 3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid (CID 135468896) is 3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid.
What is the SMILES notation for 3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid?
The canonical SMILES for 3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid is O=C(O)CC/N=C1/NC(=O)CS1.
What is the InChIKey of 3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid?
The InChIKey is KJMVRLYBMMSINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c9-4-3-12-6(8-4)7-2-1-5(10)11/h1-3H2,(H,10,11)(H,7,8,9).
What are the key properties of 3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid?
3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid has a molecular weight of 188.21 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]propanoic acid is sourced from PubChem (CID 135468896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).