ethane;3-methyl-1,3-thiazolidin-2-one

C8H19NOS — CID 90778752

IUPACethane;3-methyl-1,3-thiazolidin-2-one
SMILESCC.CC.CN1CCSC1=O
InChIInChI=1S/C4H7NOS.2C2H6/c1-5-2-3-7-4(5)6;2*1-2/h2-3H2,1H3;2*1-2H3
InChIKeyOBJOHZZZVVOSHS-UHFFFAOYSA-N
MW177.31 g/mol
LogP2.84
Rot. Bonds

About ethane;3-methyl-1,3-thiazolidin-2-one

ethane;3-methyl-1,3-thiazolidin-2-one (PubChem CID 90778752) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is ethane;3-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1,3-thiazolidin-2-one
PubChem CID90778752
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameethane;3-methyl-1,3-thiazolidin-2-one
SMILESCC.CC.CN1CCSC1=O
InChIInChI=1S/C4H7NOS.2C2H6/c1-5-2-3-7-4(5)6;2*1-2/h2-3H2,1H3;2*1-2H3
InChIKeyOBJOHZZZVVOSHS-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,3-thiazolidin-2-one?
The IUPAC name of ethane;3-methyl-1,3-thiazolidin-2-one (CID 90778752) is ethane;3-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for ethane;3-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for ethane;3-methyl-1,3-thiazolidin-2-one is CC.CC.CN1CCSC1=O.
What is the InChIKey of ethane;3-methyl-1,3-thiazolidin-2-one?
The InChIKey is OBJOHZZZVVOSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS.2C2H6/c1-5-2-3-7-4(5)6;2*1-2/h2-3H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1,3-thiazolidin-2-one?
ethane;3-methyl-1,3-thiazolidin-2-one has a molecular weight of 177.31 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 90778752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).