3-butyl-1,3-thiazolidine

C7H15NS — CID 5325806

IUPAC3-butyl-1,3-thiazolidine
SMILESCCCCN1CCSC1
InChIInChI=1S/C7H15NS/c1-2-3-4-8-5-6-9-7-8/h2-7H2,1H3
InChIKeyFOSAKNQHEZZSGI-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.79
Rot. Bonds3

About 3-butyl-1,3-thiazolidine

3-butyl-1,3-thiazolidine (PubChem CID 5325806) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-butyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-butyl-1,3-thiazolidine
PubChem CID5325806
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-butyl-1,3-thiazolidine
SMILESCCCCN1CCSC1
InChIInChI=1S/C7H15NS/c1-2-3-4-8-5-6-9-7-8/h2-7H2,1H3
InChIKeyFOSAKNQHEZZSGI-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,3-thiazolidine?
The IUPAC name of 3-butyl-1,3-thiazolidine (CID 5325806) is 3-butyl-1,3-thiazolidine.
What is the SMILES notation for 3-butyl-1,3-thiazolidine?
The canonical SMILES for 3-butyl-1,3-thiazolidine is CCCCN1CCSC1.
What is the InChIKey of 3-butyl-1,3-thiazolidine?
The InChIKey is FOSAKNQHEZZSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-3-4-8-5-6-9-7-8/h2-7H2,1H3.
What are the key properties of 3-butyl-1,3-thiazolidine?
3-butyl-1,3-thiazolidine has a molecular weight of 145.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,3-thiazolidine is sourced from PubChem (CID 5325806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).