2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile

C18H18N2S — CID 21316403

IUPAC2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile
SMILESN#CC1CSC(Cc2ccccc2)(Cc2ccccc2)N1
InChIInChI=1S/C18H18N2S/c19-13-17-14-21-18(20-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17,20H,11-12,14H2
InChIKeyBCZTXVQNYPJKIX-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.40
Rot. Bonds4

About 2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile

2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile (PubChem CID 21316403) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile
PubChem CID21316403
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile
SMILESN#CC1CSC(Cc2ccccc2)(Cc2ccccc2)N1
InChIInChI=1S/C18H18N2S/c19-13-17-14-21-18(20-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17,20H,11-12,14H2
InChIKeyBCZTXVQNYPJKIX-UHFFFAOYSA-N
XLogP3.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of 2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile (CID 21316403) is 2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for 2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for 2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile is N#CC1CSC(Cc2ccccc2)(Cc2ccccc2)N1.
What is the InChIKey of 2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile?
The InChIKey is BCZTXVQNYPJKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c19-13-17-14-21-18(20-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17,20H,11-12,14H2.
What are the key properties of 2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile?
2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile has a molecular weight of 294.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 21316403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).