(1E)-1-(nitromethylidene)-1,3-thiazolidine

C4H8N2O2S — CID 139785083

IUPAC(1E)-1-(nitromethylidene)-1,3-thiazolidine
SMILESO=[N+]([O-])/C=S1\CCNC1
InChIInChI=1S/C4H8N2O2S/c7-6(8)4-9-2-1-5-3-9/h4-5H,1-3H2
InChIKeyQVRAVZUDPVVRTH-UHFFFAOYSA-N
MW148.19 g/mol
LogP-0.15
Rot. Bonds1

About (1E)-1-(nitromethylidene)-1,3-thiazolidine

(1E)-1-(nitromethylidene)-1,3-thiazolidine (PubChem CID 139785083) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is (1E)-1-(nitromethylidene)-1,3-thiazolidine.

Molecular Properties

Compound Name(1E)-1-(nitromethylidene)-1,3-thiazolidine
PubChem CID139785083
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Name(1E)-1-(nitromethylidene)-1,3-thiazolidine
SMILESO=[N+]([O-])/C=S1\CCNC1
InChIInChI=1S/C4H8N2O2S/c7-6(8)4-9-2-1-5-3-9/h4-5H,1-3H2
InChIKeyQVRAVZUDPVVRTH-UHFFFAOYSA-N
XLogP-0.15
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(nitromethylidene)-1,3-thiazolidine?
The IUPAC name of (1E)-1-(nitromethylidene)-1,3-thiazolidine (CID 139785083) is (1E)-1-(nitromethylidene)-1,3-thiazolidine.
What is the SMILES notation for (1E)-1-(nitromethylidene)-1,3-thiazolidine?
The canonical SMILES for (1E)-1-(nitromethylidene)-1,3-thiazolidine is O=[N+]([O-])/C=S1\CCNC1.
What is the InChIKey of (1E)-1-(nitromethylidene)-1,3-thiazolidine?
The InChIKey is QVRAVZUDPVVRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c7-6(8)4-9-2-1-5-3-9/h4-5H,1-3H2.
What are the key properties of (1E)-1-(nitromethylidene)-1,3-thiazolidine?
(1E)-1-(nitromethylidene)-1,3-thiazolidine has a molecular weight of 148.19 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(nitromethylidene)-1,3-thiazolidine is sourced from PubChem (CID 139785083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).