3-methyl-1,3-thiazolidine-2-carbonitrile

C5H8N2S — CID 3057280

IUPAC3-methyl-1,3-thiazolidine-2-carbonitrile
SMILESCN1CCSC1C#N
InChIInChI=1S/C5H8N2S/c1-7-2-3-8-5(7)4-6/h5H,2-3H2,1H3
InChIKeyHICFRDKHAIAUNI-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.51
Rot. Bonds

About 3-methyl-1,3-thiazolidine-2-carbonitrile

3-methyl-1,3-thiazolidine-2-carbonitrile (PubChem CID 3057280) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 3-methyl-1,3-thiazolidine-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-1,3-thiazolidine-2-carbonitrile
PubChem CID3057280
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name3-methyl-1,3-thiazolidine-2-carbonitrile
SMILESCN1CCSC1C#N
InChIInChI=1S/C5H8N2S/c1-7-2-3-8-5(7)4-6/h5H,2-3H2,1H3
InChIKeyHICFRDKHAIAUNI-UHFFFAOYSA-N
XLogP0.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-thiazolidine-2-carbonitrile?
The IUPAC name of 3-methyl-1,3-thiazolidine-2-carbonitrile (CID 3057280) is 3-methyl-1,3-thiazolidine-2-carbonitrile.
What is the SMILES notation for 3-methyl-1,3-thiazolidine-2-carbonitrile?
The canonical SMILES for 3-methyl-1,3-thiazolidine-2-carbonitrile is CN1CCSC1C#N.
What is the InChIKey of 3-methyl-1,3-thiazolidine-2-carbonitrile?
The InChIKey is HICFRDKHAIAUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-7-2-3-8-5(7)4-6/h5H,2-3H2,1H3.
What are the key properties of 3-methyl-1,3-thiazolidine-2-carbonitrile?
3-methyl-1,3-thiazolidine-2-carbonitrile has a molecular weight of 128.20 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-thiazolidine-2-carbonitrile is sourced from PubChem (CID 3057280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).