2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride

C5H8ClNO2S — CID 175050255

IUPAC2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride
SMILESCN1SCC(=O)C1C=O.Cl
InChIInChI=1S/C5H7NO2S.ClH/c1-6-4(2-7)5(8)3-9-6;/h2,4H,3H2,1H3;1H
InChIKeyLGMRZMUCNDPOKC-UHFFFAOYSA-N
MW181.64 g/mol
LogP0.14
Rot. Bonds1

About 2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride

2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride (PubChem CID 175050255) has the molecular formula C5H8ClNO2S and a molecular weight of 181.64 g/mol. Its IUPAC name is 2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride
PubChem CID175050255
Molecular FormulaC5H8ClNO2S
Molecular Weight181.64 g/mol
Exact Mass181.00
IUPAC Name2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride
SMILESCN1SCC(=O)C1C=O.Cl
InChIInChI=1S/C5H7NO2S.ClH/c1-6-4(2-7)5(8)3-9-6;/h2,4H,3H2,1H3;1H
InChIKeyLGMRZMUCNDPOKC-UHFFFAOYSA-N
XLogP0.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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4-methylpyrrolidin-3-one;hydrochloride
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1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
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1-methyl-7-oxoazepane-4-carbaldehyde
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1-methylpiperazine-2-carbaldehyde;hydrochloride
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2,3-dimethylcycloprop-2-ene-1-carbaldehyde
CID 12721589
1-methylaziridine-2,3-dione;hydrochloride
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2-(2,4-dioxothiolan-3-yl)propanal
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride?
The IUPAC name of 2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride (CID 175050255) is 2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride.
What is the SMILES notation for 2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride?
The canonical SMILES for 2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride is CN1SCC(=O)C1C=O.Cl.
What is the InChIKey of 2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride?
The InChIKey is LGMRZMUCNDPOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S.ClH/c1-6-4(2-7)5(8)3-9-6;/h2,4H,3H2,1H3;1H.
What are the key properties of 2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride?
2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride has a molecular weight of 181.64 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-1,2-thiazolidine-3-carbaldehyde;hydrochloride is sourced from PubChem (CID 175050255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).