(2S)-2-methyl-1,3-thiazolidine-4-carbonitrile

C5H8N2S — CID 155003833

IUPAC(2S)-2-methyl-1,3-thiazolidine-4-carbonitrile
SMILESC[C@H]1NC(C#N)CS1
InChIInChI=1S/C5H8N2S/c1-4-7-5(2-6)3-8-4/h4-5,7H,3H2,1H3/t4-,5?/m0/s1
InChIKeyPSISOMNVFQHOLZ-ROLXFIACSA-N
MW128.20 g/mol
LogP0.56
Rot. Bonds

About (2S)-2-methyl-1,3-thiazolidine-4-carbonitrile

(2S)-2-methyl-1,3-thiazolidine-4-carbonitrile (PubChem CID 155003833) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is (2S)-2-methyl-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name(2S)-2-methyl-1,3-thiazolidine-4-carbonitrile
PubChem CID155003833
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name(2S)-2-methyl-1,3-thiazolidine-4-carbonitrile
SMILESC[C@H]1NC(C#N)CS1
InChIInChI=1S/C5H8N2S/c1-4-7-5(2-6)3-8-4/h4-5,7H,3H2,1H3/t4-,5?/m0/s1
InChIKeyPSISOMNVFQHOLZ-ROLXFIACSA-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

(2S,4S)-2,4-dimethyl-1,3-thiazolidine
CID 55287644
4-methylpiperidine-2-carbonitrile
CID 18928247
(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 89360005
(3S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 129172394
(1S,3S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 66694826
2-methyl-1,3-thiazolidine-4-carboxamide
CID 18505122
(2R)-azetidine-2-carbonitrile;hydrochloride
CID 118798148
(3R,5R)-3,5-dimethylthiomorpholine
CID 13077511
(2R)-2-methyl-1,3-thiazolidine-5-carbonitrile
CID 155003906
2,4-dimethyl-1,3-thiazinane
CID 66231970
2-methyl-2-propan-2-yl-1,3-thiazolidine-4-carbonitrile
CID 21316402
5-propan-2-ylpyrrolidine-2-carbonitrile
CID 84762546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of (2S)-2-methyl-1,3-thiazolidine-4-carbonitrile (CID 155003833) is (2S)-2-methyl-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for (2S)-2-methyl-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for (2S)-2-methyl-1,3-thiazolidine-4-carbonitrile is C[C@H]1NC(C#N)CS1.
What is the InChIKey of (2S)-2-methyl-1,3-thiazolidine-4-carbonitrile?
The InChIKey is PSISOMNVFQHOLZ-ROLXFIACSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4-7-5(2-6)3-8-4/h4-5,7H,3H2,1H3/t4-,5?/m0/s1.
What are the key properties of (2S)-2-methyl-1,3-thiazolidine-4-carbonitrile?
(2S)-2-methyl-1,3-thiazolidine-4-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 (2S)-2-methyl-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 155003833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).