2,3-dimethyl-1,2-thiazolidine

C5H11NS — CID 154515797

IUPAC2,3-dimethyl-1,2-thiazolidine
SMILESCC1CCSN1C
InChIInChI=1S/C5H11NS/c1-5-3-4-7-6(5)2/h5H,3-4H2,1-2H3
InChIKeyJBFDVLLQTPBMFG-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.36
Rot. Bonds

About 2,3-dimethyl-1,2-thiazolidine

2,3-dimethyl-1,2-thiazolidine (PubChem CID 154515797) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2,3-dimethyl-1,2-thiazolidine.

Molecular Properties

Compound Name2,3-dimethyl-1,2-thiazolidine
PubChem CID154515797
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2,3-dimethyl-1,2-thiazolidine
SMILESCC1CCSN1C
InChIInChI=1S/C5H11NS/c1-5-3-4-7-6(5)2/h5H,3-4H2,1-2H3
InChIKeyJBFDVLLQTPBMFG-UHFFFAOYSA-N
XLogP1.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1,2-thiazolidine
CID 13493124
2-Ethyl-1,2-thiazolidine
CID 13493125
2-Tert-butyl-1,2-thiazolidine
CID 13493126
2-Propan-2-yl-1,2-thiazolidine
CID 22897205
1-Methylidene-2-propan-2-yl-1,2-thiazolidine
CID 57529284
2,3-Dimethyl-1-methylidene-1,2-thiazolidine
CID 58782516
1-Propylsulfanylpyrrolidine
CID 85899412
2-Methyl-1-methylidene-1,2-thiazolidine
CID 87152489
2-Methyl-1-sulfanylidene-1,2-thiazolidine
CID 89442146
3-Ethynyl-2-methyl-1,2-thiazolidine
CID 89703555
2-Propyl-1,2-thiazolidine
CID 90701045
N-ethylsulfanyl-N-methylpropan-2-amine
CID 123397919

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,2-thiazolidine?
The IUPAC name of 2,3-dimethyl-1,2-thiazolidine (CID 154515797) is 2,3-dimethyl-1,2-thiazolidine.
What is the SMILES notation for 2,3-dimethyl-1,2-thiazolidine?
The canonical SMILES for 2,3-dimethyl-1,2-thiazolidine is CC1CCSN1C.
What is the InChIKey of 2,3-dimethyl-1,2-thiazolidine?
The InChIKey is JBFDVLLQTPBMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5-3-4-7-6(5)2/h5H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,2-thiazolidine?
2,3-dimethyl-1,2-thiazolidine has a molecular weight of 117.22 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,2-thiazolidine is sourced from PubChem (CID 154515797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).