2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

C10H9NO3S2 — CID 58454864

IUPAC2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
SMILESO=C(O)CN1C(=O)/C(=C2\C=CCC2)SC1=S
InChIInChI=1S/C10H9NO3S2/c12-7(13)5-11-9(14)8(16-10(11)15)6-3-1-2-4-6/h1,3H,2,4-5H2,(H,12,13)/b8-6-
InChIKeySLNRKTGMCIZVMS-VURMDHGXSA-N
MW255.32 g/mol
LogP1.54
Rot. Bonds2

About 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid (PubChem CID 58454864) has the molecular formula C10H9NO3S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
PubChem CID58454864
Molecular FormulaC10H9NO3S2
Molecular Weight255.32 g/mol
Exact Mass255.00
IUPAC Name2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
SMILESO=C(O)CN1C(=O)/C(=C2\C=CCC2)SC1=S
InChIInChI=1S/C10H9NO3S2/c12-7(13)5-11-9(14)8(16-10(11)15)6-3-1-2-4-6/h1,3H,2,4-5H2,(H,12,13)/b8-6-
InChIKeySLNRKTGMCIZVMS-VURMDHGXSA-N
XLogP1.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(1-ethyl-4-pyridinylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 11970892
2-[(5E)-5-(1-methyl-2-pyridinylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 2063680
2-[5-(2,6-dimethylpyran-4-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 14093339
2-(5-methylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
CID 4055233
2-[(5E)-5-[[(1R)-cyclohex-3-en-1-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 40531120
2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 3037175
2-[(5Z)-5-(3-methyl-1,3-benzoxazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 18600883
2-[(5Z)-5-ethylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;tungsten
CID 59475930
4-[[2-[5-[3-[2-(4-carboxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
CID 78298711
2-[(2E)-2-(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
CID 58321487
2-[5-[3-[2-(4-hydroxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide
CID 78298712
2-[5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 2787572

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?
The IUPAC name of 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid (CID 58454864) is 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is O=C(O)CN1C(=O)/C(=C2\C=CCC2)SC1=S.
What is the InChIKey of 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?
The InChIKey is SLNRKTGMCIZVMS-VURMDHGXSA-N. The full InChI is InChI=1S/C10H9NO3S2/c12-7(13)5-11-9(14)8(16-10(11)15)6-3-1-2-4-6/h1,3H,2,4-5H2,(H,12,13)/b8-6-.
What are the key properties of 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?
2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid has a molecular weight of 255.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-cyclopent-2-en-1-ylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is sourced from PubChem (CID 58454864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).