2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile

C8H15N4OS- — CID 173201614

IUPAC2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile
SMILESCCN([O-])NCCC1(C#N)NCCS1
InChIInChI=1S/C8H15N4OS/c1-2-12(13)11-4-3-8(7-9)10-5-6-14-8/h10-11H,2-6H2,1H3/q-1
InChIKeyOFYPETAFOUAQMB-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.26
Rot. Bonds5

About 2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile

2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile (PubChem CID 173201614) has the molecular formula C8H15N4OS- and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile
PubChem CID173201614
Molecular FormulaC8H15N4OS-
Molecular Weight215.30 g/mol
Exact Mass215.10
IUPAC Name2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile
SMILESCCN([O-])NCCC1(C#N)NCCS1
InChIInChI=1S/C8H15N4OS/c1-2-12(13)11-4-3-8(7-9)10-5-6-14-8/h10-11H,2-6H2,1H3/q-1
InChIKeyOFYPETAFOUAQMB-UHFFFAOYSA-N
XLogP0.26
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-ethyl-2-methyl-1,3-thiazolidine
CID 129361769
2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile
CID 45096483
methyl 2-propyl-1,3-thiazolidine-2-carboxylate
CID 54553440
2-ethyl-2-propan-2-yl-1,3-thiazolidine
CID 45096103
2-[(E)-hex-3-en-5-ynyl]-2-methyl-1,3-thiazolidine
CID 12600012
3-(2,2-diethylhydrazinyl)propanenitrile
CID 172788770
2-ethoxy-5-thia-8-azaspiro[3.4]octane
CID 106824053
propanenitrile;pyrrolidine;hydrate
CID 174959942
2-(2-ethylsulfonylethyl)thiolane-2-carbonitrile
CID 83174375
1-(propylamino)cyclopropane-1-carbonitrile
CID 103439401
3-(ethylamino)bicyclo[1.1.1]pentane-1-carbonitrile
CID 146339668
carbonic acid;2,2-dimethyl-1,3-thiazolidine
CID 67913382

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile?
The IUPAC name of 2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile (CID 173201614) is 2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile.
What is the SMILES notation for 2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile?
The canonical SMILES for 2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile is CCN([O-])NCCC1(C#N)NCCS1.
What is the InChIKey of 2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile?
The InChIKey is OFYPETAFOUAQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N4OS/c1-2-12(13)11-4-3-8(7-9)10-5-6-14-8/h10-11H,2-6H2,1H3/q-1.
What are the key properties of 2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile?
2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethyl-2-oxidohydrazinyl)ethyl]-1,3-thiazolidine-2-carbonitrile is sourced from PubChem (CID 173201614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).