5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile

C9H16N2S — CID 21395911

IUPAC5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile
SMILESCC(C)C1NC(C#N)C(C)(C)S1
InChIInChI=1S/C9H16N2S/c1-6(2)8-11-7(5-10)9(3,4)12-8/h6-8,11H,1-4H3
InChIKeyXRKZVUKVOZHPEQ-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.98
Rot. Bonds1

About 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile

5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile (PubChem CID 21395911) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile
PubChem CID21395911
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile
SMILESCC(C)C1NC(C#N)C(C)(C)S1
InChIInChI=1S/C9H16N2S/c1-6(2)8-11-7(5-10)9(3,4)12-8/h6-8,11H,1-4H3
InChIKeyXRKZVUKVOZHPEQ-UHFFFAOYSA-N
XLogP1.98
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile (CID 21395911) is 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile is CC(C)C1NC(C#N)C(C)(C)S1.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile?
The InChIKey is XRKZVUKVOZHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6(2)8-11-7(5-10)9(3,4)12-8/h6-8,11H,1-4H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile?
5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile has a molecular weight of 184.31 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 21395911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).