2-methyl-1,2-thiazolidine

C4H9NS — CID 13493124

IUPAC2-methyl-1,2-thiazolidine
SMILESCN1CCCS1
InChIInChI=1S/C4H9NS/c1-5-3-2-4-6-5/h2-4H2,1H3
InChIKeyLXLWHBXESDQSQU-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.97
Rot. Bonds

About 2-methyl-1,2-thiazolidine

2-methyl-1,2-thiazolidine (PubChem CID 13493124) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is 2-methyl-1,2-thiazolidine.

Molecular Properties

Compound Name2-methyl-1,2-thiazolidine
PubChem CID13493124
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name2-methyl-1,2-thiazolidine
SMILESCN1CCCS1
InChIInChI=1S/C4H9NS/c1-5-3-2-4-6-5/h2-4H2,1H3
InChIKeyLXLWHBXESDQSQU-UHFFFAOYSA-N
XLogP0.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.97
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

Dimethylamino-1,2-dithiolane
CID 88799846
1-Methylsulfanylpyrrolidine
CID 15113339
2-Ethyl-1,2-thiazolidine
CID 13493125
2-Tert-butyl-1,2-thiazolidine
CID 13493126
2-Propan-2-yl-1,2-thiazolidine
CID 22897205
2-Methyl-1,2-thiazolidine 1-oxide
CID 23516051
2,3-Dimethyl-1-methylidene-1,2-thiazolidine
CID 58782516
1-Propylsulfanylpyrrolidine
CID 85899412
2-Methyl-1-methylidene-1,2-thiazolidine
CID 87152489
1-Butylsulfanylpyrrolidine
CID 87497851
2-(1,2-Thiazolidin-2-yl)ethanethiol
CID 88203106
5-Ethyl-2-methyl-1,2-thiazolidine
CID 89145298

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-thiazolidine?
The IUPAC name of 2-methyl-1,2-thiazolidine (CID 13493124) is 2-methyl-1,2-thiazolidine.
What is the SMILES notation for 2-methyl-1,2-thiazolidine?
The canonical SMILES for 2-methyl-1,2-thiazolidine is CN1CCCS1.
What is the InChIKey of 2-methyl-1,2-thiazolidine?
The InChIKey is LXLWHBXESDQSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-5-3-2-4-6-5/h2-4H2,1H3.
What are the key properties of 2-methyl-1,2-thiazolidine?
2-methyl-1,2-thiazolidine has a molecular weight of 103.19 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-thiazolidine is sourced from PubChem (CID 13493124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).