2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile

C10H14N2S — CID 21316428

IUPAC2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile
SMILESN#CC1CSC(C2C=CCCC2)N1
InChIInChI=1S/C10H14N2S/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h2,4,8-10,12H,1,3,5,7H2
InChIKeyARRALCNCUYDGSJ-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.90
Rot. Bonds1

About 2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile

2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile (PubChem CID 21316428) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile
PubChem CID21316428
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile
SMILESN#CC1CSC(C2C=CCCC2)N1
InChIInChI=1S/C10H14N2S/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h2,4,8-10,12H,1,3,5,7H2
InChIKeyARRALCNCUYDGSJ-UHFFFAOYSA-N
XLogP1.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of 2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile (CID 21316428) is 2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for 2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile is N#CC1CSC(C2C=CCCC2)N1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile?
The InChIKey is ARRALCNCUYDGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h2,4,8-10,12H,1,3,5,7H2.
What are the key properties of 2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile?
2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile has a molecular weight of 194.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 21316428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).