2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile

C8H14N2S — CID 21316402

IUPAC2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile
SMILESCC(C)C1(C)NC(C#N)CS1
InChIInChI=1S/C8H14N2S/c1-6(2)8(3)10-7(4-9)5-11-8/h6-7,10H,5H2,1-3H3
InChIKeyAPFFFPDHHWNKIM-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.59
Rot. Bonds1

About 2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile

2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile (PubChem CID 21316402) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile
PubChem CID21316402
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile
SMILESCC(C)C1(C)NC(C#N)CS1
InChIInChI=1S/C8H14N2S/c1-6(2)8(3)10-7(4-9)5-11-8/h6-7,10H,5H2,1-3H3
InChIKeyAPFFFPDHHWNKIM-UHFFFAOYSA-N
XLogP1.59
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of 2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile (CID 21316402) is 2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for 2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for 2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile is CC(C)C1(C)NC(C#N)CS1.
What is the InChIKey of 2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile?
The InChIKey is APFFFPDHHWNKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)8(3)10-7(4-9)5-11-8/h6-7,10H,5H2,1-3H3.
What are the key properties of 2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile?
2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile has a molecular weight of 170.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 21316402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).