(2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine

C5H8N2O2S — CID 70249121

IUPAC(2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine
SMILESCC1CN/C(=C\[N+](=O)[O-])S1
InChIInChI=1S/C5H8N2O2S/c1-4-2-6-5(10-4)3-7(8)9/h3-4,6H,2H2,1H3/b5-3+
InChIKeyIIBVWVUXIOUODW-HWKANZROSA-N
MW160.20 g/mol
LogP0.79
Rot. Bonds1

About (2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine

(2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine (PubChem CID 70249121) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is (2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine.

Molecular Properties

Compound Name(2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine
PubChem CID70249121
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name(2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine
SMILESCC1CN/C(=C\[N+](=O)[O-])S1
InChIInChI=1S/C5H8N2O2S/c1-4-2-6-5(10-4)3-7(8)9/h3-4,6H,2H2,1H3/b5-3+
InChIKeyIIBVWVUXIOUODW-HWKANZROSA-N
XLogP0.79
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine?
The IUPAC name of (2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine (CID 70249121) is (2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine.
What is the SMILES notation for (2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine?
The canonical SMILES for (2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine is CC1CN/C(=C\[N+](=O)[O-])S1.
What is the InChIKey of (2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine?
The InChIKey is IIBVWVUXIOUODW-HWKANZROSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-4-2-6-5(10-4)3-7(8)9/h3-4,6H,2H2,1H3/b5-3+.
What are the key properties of (2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine?
(2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine has a molecular weight of 160.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine is sourced from PubChem (CID 70249121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).