2-(1,3-thiazolidin-3-yl)pentanenitrile

C8H14N2S — CID 175743883

IUPAC2-(1,3-thiazolidin-3-yl)pentanenitrile
SMILESCCCC(C#N)N1CCSC1
InChIInChI=1S/C8H14N2S/c1-2-3-8(6-9)10-4-5-11-7-10/h8H,2-5,7H2,1H3
InChIKeyCBNATUOSEPWFHV-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.68
Rot. Bonds3

About 2-(1,3-thiazolidin-3-yl)pentanenitrile

2-(1,3-thiazolidin-3-yl)pentanenitrile (PubChem CID 175743883) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(1,3-thiazolidin-3-yl)pentanenitrile.

Molecular Properties

Compound Name2-(1,3-thiazolidin-3-yl)pentanenitrile
PubChem CID175743883
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-(1,3-thiazolidin-3-yl)pentanenitrile
SMILESCCCC(C#N)N1CCSC1
InChIInChI=1S/C8H14N2S/c1-2-3-8(6-9)10-4-5-11-7-10/h8H,2-5,7H2,1H3
InChIKeyCBNATUOSEPWFHV-UHFFFAOYSA-N
XLogP1.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazolidin-3-yl)pentanenitrile?
The IUPAC name of 2-(1,3-thiazolidin-3-yl)pentanenitrile (CID 175743883) is 2-(1,3-thiazolidin-3-yl)pentanenitrile.
What is the SMILES notation for 2-(1,3-thiazolidin-3-yl)pentanenitrile?
The canonical SMILES for 2-(1,3-thiazolidin-3-yl)pentanenitrile is CCCC(C#N)N1CCSC1.
What is the InChIKey of 2-(1,3-thiazolidin-3-yl)pentanenitrile?
The InChIKey is CBNATUOSEPWFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-3-8(6-9)10-4-5-11-7-10/h8H,2-5,7H2,1H3.
What are the key properties of 2-(1,3-thiazolidin-3-yl)pentanenitrile?
2-(1,3-thiazolidin-3-yl)pentanenitrile has a molecular weight of 170.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazolidin-3-yl)pentanenitrile is sourced from PubChem (CID 175743883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).