1-nitroethene;1,3-thiazolidine

C5H10N2O2S — CID 23452148

IUPAC1-nitroethene;1,3-thiazolidine
SMILESC1CSCN1.C=C[N+](=O)[O-]
InChIInChI=1S/C3H7NS.C2H3NO2/c1-2-5-3-4-1;1-2-3(4)5/h4H,1-3H2;2H,1H2
InChIKeyHQQKFKOVWKLURK-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.69
Rot. Bonds1

About 1-nitroethene;1,3-thiazolidine

1-nitroethene;1,3-thiazolidine (PubChem CID 23452148) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-nitroethene;1,3-thiazolidine.

Molecular Properties

Compound Name1-nitroethene;1,3-thiazolidine
PubChem CID23452148
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name1-nitroethene;1,3-thiazolidine
SMILESC1CSCN1.C=C[N+](=O)[O-]
InChIInChI=1S/C3H7NS.C2H3NO2/c1-2-5-3-4-1;1-2-3(4)5/h4H,1-3H2;2H,1H2
InChIKeyHQQKFKOVWKLURK-UHFFFAOYSA-N
XLogP0.69
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.69
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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Related Compounds

Thiazolidine, 2-(nitromethylene)
CID 6455311
2-Nitromethylene-thiazolidine
CID 3835583
2-(Nitromethylidene)-1,3-thiazolidine
CID 5936028
2-(2-Nitroethenyl)-1,3-thiazolidine
CID 53895187
(2E)-5-methyl-2-(nitromethylidene)-1,3-thiazolidine
CID 70249121
5-Methyl-2-(nitromethylidene)-1,3-thiazolidine
CID 70249122
2-(nitromethylidene)-3H-1,3-thiazole
CID 70491981
2-(2-Nitroethylidene)-1,3-thiazolidine
CID 70571420
(Z)-1-ethylsulfanyl-N-methyl-2-nitroethenamine
CID 88170116
1-ethylsulfanyl-N-methyl-2-nitroethenamine
CID 88170119
(Z)-1-methylsulfanyl-N-(2-methylsulfanylethyl)-2-nitroethenamine
CID 142086891
2-[(E)-2-nitroethenyl]-1,3-thiazolidine
CID 173359079

Frequently Asked Questions

What is the IUPAC name of 1-nitroethene;1,3-thiazolidine?
The IUPAC name of 1-nitroethene;1,3-thiazolidine (CID 23452148) is 1-nitroethene;1,3-thiazolidine.
What is the SMILES notation for 1-nitroethene;1,3-thiazolidine?
The canonical SMILES for 1-nitroethene;1,3-thiazolidine is C1CSCN1.C=C[N+](=O)[O-].
What is the InChIKey of 1-nitroethene;1,3-thiazolidine?
The InChIKey is HQQKFKOVWKLURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS.C2H3NO2/c1-2-5-3-4-1;1-2-3(4)5/h4H,1-3H2;2H,1H2.
What are the key properties of 1-nitroethene;1,3-thiazolidine?
1-nitroethene;1,3-thiazolidine has a molecular weight of 162.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroethene;1,3-thiazolidine is sourced from PubChem (CID 23452148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).