3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide

C5H8N2O2S — CID 141184233

IUPAC3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCN1C(=O)SCC1C(N)=O
InChIInChI=1S/C5H8N2O2S/c1-7-3(4(6)8)2-10-5(7)9/h3H,2H2,1H3,(H2,6,8)
InChIKeyBNJBGGBZEIAMRU-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.36
Rot. Bonds1

About 3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide

3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 141184233) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID141184233
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCN1C(=O)SCC1C(N)=O
InChIInChI=1S/C5H8N2O2S/c1-7-3(4(6)8)2-10-5(7)9/h3H,2H2,1H3,(H2,6,8)
InChIKeyBNJBGGBZEIAMRU-UHFFFAOYSA-N
XLogP-0.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-3-methyl-1,3-thiazolidin-2-one
CID 84763029
3-(4-carbamoyl-2-oxo-1,3-thiazolidin-3-yl)propyl nitrate
CID 142625680
ethane;3-methyl-1,3-thiazolidine-4-carboxamide
CID 178176734
3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid
CID 71498111
6-methyl-5-oxothiomorpholine-3,4-dicarboxamide
CID 131727665
5-carbamoyl-1-methyl-6-oxopiperazine-2-carboxylic acid
CID 66617104
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
1,4-dimethylpyrrolidine-2-carboxamide
CID 59689218
(2S)-1-methylazetidine-2-carboxamide
CID 59708444
ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate
CID 163998883
1-methyl-4-sulfanylpyrrolidine-2-carboxamide
CID 19907166
(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 59118666

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide (CID 141184233) is 3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide is CN1C(=O)SCC1C(N)=O.
What is the InChIKey of 3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is BNJBGGBZEIAMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-7-3(4(6)8)2-10-5(7)9/h3H,2H2,1H3,(H2,6,8).
What are the key properties of 3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide?
3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 160.20 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 141184233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).