2-imino-3-methyl-1,3-thiazolidin-4-one

C4H6N2OS — CID 12578824

IUPAC2-imino-3-methyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1C
InChIInChI=1S/C4H6N2OS/c1-6-3(7)2-8-4(6)5/h5H,2H2,1H3/b5-4-
InChIKeyUUJLFBAYOZKZNN-PLNGDYQASA-N
MW130.17 g/mol
LogP0.13
Rot. Bonds

About 2-imino-3-methyl-1,3-thiazolidin-4-one

2-imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 12578824) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID12578824
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name2-imino-3-methyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1C
InChIInChI=1S/C4H6N2OS/c1-6-3(7)2-8-4(6)5/h5H,2H2,1H3/b5-4-
InChIKeyUUJLFBAYOZKZNN-PLNGDYQASA-N
XLogP0.13
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-methyl-1,3-thiazolidin-4-one (CID 12578824) is 2-imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-methyl-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1C.
What is the InChIKey of 2-imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is UUJLFBAYOZKZNN-PLNGDYQASA-N. The full InChI is InChI=1S/C4H6N2OS/c1-6-3(7)2-8-4(6)5/h5H,2H2,1H3/b5-4-.
What are the key properties of 2-imino-3-methyl-1,3-thiazolidin-4-one?
2-imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 130.17 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 12578824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).