2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile

C8H14N2S — CID 45096483

IUPAC2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile
SMILESCC(C)C1(CC#N)NCCS1
InChIInChI=1S/C8H14N2S/c1-7(2)8(3-4-9)10-5-6-11-8/h7,10H,3,5-6H2,1-2H3
InChIKeyMICMEFVUODWMFM-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.59
Rot. Bonds2

About 2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile

2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile (PubChem CID 45096483) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile
PubChem CID45096483
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile
SMILESCC(C)C1(CC#N)NCCS1
InChIInChI=1S/C8H14N2S/c1-7(2)8(3-4-9)10-5-6-11-8/h7,10H,3,5-6H2,1-2H3
InChIKeyMICMEFVUODWMFM-UHFFFAOYSA-N
XLogP1.59
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile?
The IUPAC name of 2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile (CID 45096483) is 2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile?
The canonical SMILES for 2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile is CC(C)C1(CC#N)NCCS1.
What is the InChIKey of 2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile?
The InChIKey is MICMEFVUODWMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-7(2)8(3-4-9)10-5-6-11-8/h7,10H,3,5-6H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile?
2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile has a molecular weight of 170.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,3-thiazolidin-2-yl)acetonitrile is sourced from PubChem (CID 45096483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).