(2R)-2-methyl-1,3-thiazolidine-5-carbonitrile

C5H8N2S — CID 155003906

IUPAC(2R)-2-methyl-1,3-thiazolidine-5-carbonitrile
SMILESC[C@@H]1NCC(C#N)S1
InChIInChI=1S/C5H8N2S/c1-4-7-3-5(2-6)8-4/h4-5,7H,3H2,1H3/t4-,5?/m1/s1
InChIKeyATBUATKNZKWEQA-CNZKWPKMSA-N
MW128.20 g/mol
LogP0.56
Rot. Bonds

About (2R)-2-methyl-1,3-thiazolidine-5-carbonitrile

(2R)-2-methyl-1,3-thiazolidine-5-carbonitrile (PubChem CID 155003906) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is (2R)-2-methyl-1,3-thiazolidine-5-carbonitrile.

Molecular Properties

Compound Name(2R)-2-methyl-1,3-thiazolidine-5-carbonitrile
PubChem CID155003906
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name(2R)-2-methyl-1,3-thiazolidine-5-carbonitrile
SMILESC[C@@H]1NCC(C#N)S1
InChIInChI=1S/C5H8N2S/c1-4-7-3-5(2-6)8-4/h4-5,7H,3H2,1H3/t4-,5?/m1/s1
InChIKeyATBUATKNZKWEQA-CNZKWPKMSA-N
XLogP0.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propylthiazolidine
CID 146885
2,2-Dimethylthiazolidine
CID 88015
2-Ethylthiazolidine
CID 146884
Thiazolidine, 2,5-dimethyl-
CID 212554
2,2-Ethylmethylthiazolidine
CID 568373
2-Ethyl-5-methyl-1,3-thiazolidine
CID 3067679
2,2,5-Trimethyl-1,3-thiazolidine--hydrogen chloride (1/1)
CID 3056540
2,2,5-Trimethyl-thiazolidine
CID 547147
Cyanothiazolidine
CID 17959007
2-(1,3-Thiazolidin-2-yl)ethanamine
CID 54123437
2,5,5-Trimethyl-1,3-thiazolidine
CID 21719973
(2R)-2,5,5-trimethyl-1,3-thiazolidine
CID 5325804

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1,3-thiazolidine-5-carbonitrile?
The IUPAC name of (2R)-2-methyl-1,3-thiazolidine-5-carbonitrile (CID 155003906) is (2R)-2-methyl-1,3-thiazolidine-5-carbonitrile.
What is the SMILES notation for (2R)-2-methyl-1,3-thiazolidine-5-carbonitrile?
The canonical SMILES for (2R)-2-methyl-1,3-thiazolidine-5-carbonitrile is C[C@@H]1NCC(C#N)S1.
What is the InChIKey of (2R)-2-methyl-1,3-thiazolidine-5-carbonitrile?
The InChIKey is ATBUATKNZKWEQA-CNZKWPKMSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4-7-3-5(2-6)8-4/h4-5,7H,3H2,1H3/t4-,5?/m1/s1.
What are the key properties of (2R)-2-methyl-1,3-thiazolidine-5-carbonitrile?
(2R)-2-methyl-1,3-thiazolidine-5-carbonitrile has a molecular weight of 128.20 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1,3-thiazolidine-5-carbonitrile is sourced from PubChem (CID 155003906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).