2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid

C5H5NO3S2 — CID 51385264

IUPAC2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@@H]1SC(=S)NC1=O
InChIInChI=1S/C5H5NO3S2/c7-3(8)1-2-4(9)6-5(10)11-2/h2H,1H2,(H,7,8)(H,6,9,10)/t2-/m0/s1
InChIKeyFUQYIQWKYXNCDI-REOHCLBHSA-N
MW191.23 g/mol
LogP-0.02
Rot. Bonds2

About 2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid

2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 51385264) has the molecular formula C5H5NO3S2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid
PubChem CID51385264
Molecular FormulaC5H5NO3S2
Molecular Weight191.23 g/mol
Exact Mass190.97
IUPAC Name2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@@H]1SC(=S)NC1=O
InChIInChI=1S/C5H5NO3S2/c7-3(8)1-2-4(9)6-5(10)11-2/h2H,1H2,(H,7,8)(H,6,9,10)/t2-/m0/s1
InChIKeyFUQYIQWKYXNCDI-REOHCLBHSA-N
XLogP-0.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)methylamino]propanoic acid
CID 134104377
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 25220247
N-(4-chlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220255
N-(4-chlorophenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020224
3-[[2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 93020293
N-(2-bromophenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020213
2-chloro-5-[[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetyl]amino]benzoic acid
CID 25220301
2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 93020323
4-chloro-3-[[2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 93020289
N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674362
N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674371
N-(4-bromo-2-fluorophenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020218

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid (CID 51385264) is 2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid is O=C(O)C[C@@H]1SC(=S)NC1=O.
What is the InChIKey of 2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is FUQYIQWKYXNCDI-REOHCLBHSA-N. The full InChI is InChI=1S/C5H5NO3S2/c7-3(8)1-2-4(9)6-5(10)11-2/h2H,1H2,(H,7,8)(H,6,9,10)/t2-/m0/s1.
What are the key properties of 2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid?
2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 191.23 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 51385264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).