3,4-dimethyl-1,3-thiazolidine

C5H11NS — CID 23385900

IUPAC3,4-dimethyl-1,3-thiazolidine
SMILESCC1CSCN1C
InChIInChI=1S/C5H11NS/c1-5-3-7-4-6(5)2/h5H,3-4H2,1-2H3
InChIKeySNBKIYGGKKMWGW-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.01
Rot. Bonds

About 3,4-dimethyl-1,3-thiazolidine

3,4-dimethyl-1,3-thiazolidine (PubChem CID 23385900) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 3,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name3,4-dimethyl-1,3-thiazolidine
PubChem CID23385900
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name3,4-dimethyl-1,3-thiazolidine
SMILESCC1CSCN1C
InChIInChI=1S/C5H11NS/c1-5-3-7-4-6(5)2/h5H,3-4H2,1-2H3
InChIKeySNBKIYGGKKMWGW-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 3,4-dimethyl-1,3-thiazolidine (CID 23385900) is 3,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 3,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 3,4-dimethyl-1,3-thiazolidine is CC1CSCN1C.
What is the InChIKey of 3,4-dimethyl-1,3-thiazolidine?
The InChIKey is SNBKIYGGKKMWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5-3-7-4-6(5)2/h5H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-1,3-thiazolidine?
3,4-dimethyl-1,3-thiazolidine has a molecular weight of 117.22 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 23385900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).