3-butyl-2-ethyl-1,3-thiazolidine

C9H19NS — CID 13356757

IUPAC3-butyl-2-ethyl-1,3-thiazolidine
SMILESCCCCN1CCSC1CC
InChIInChI=1S/C9H19NS/c1-3-5-6-10-7-8-11-9(10)4-2/h9H,3-8H2,1-2H3
InChIKeyNUPZTXMMIJKULM-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.57
Rot. Bonds4

About 3-butyl-2-ethyl-1,3-thiazolidine

3-butyl-2-ethyl-1,3-thiazolidine (PubChem CID 13356757) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3-butyl-2-ethyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-butyl-2-ethyl-1,3-thiazolidine
PubChem CID13356757
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3-butyl-2-ethyl-1,3-thiazolidine
SMILESCCCCN1CCSC1CC
InChIInChI=1S/C9H19NS/c1-3-5-6-10-7-8-11-9(10)4-2/h9H,3-8H2,1-2H3
InChIKeyNUPZTXMMIJKULM-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-ethyl-1,3-thiazolidine?
The IUPAC name of 3-butyl-2-ethyl-1,3-thiazolidine (CID 13356757) is 3-butyl-2-ethyl-1,3-thiazolidine.
What is the SMILES notation for 3-butyl-2-ethyl-1,3-thiazolidine?
The canonical SMILES for 3-butyl-2-ethyl-1,3-thiazolidine is CCCCN1CCSC1CC.
What is the InChIKey of 3-butyl-2-ethyl-1,3-thiazolidine?
The InChIKey is NUPZTXMMIJKULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-5-6-10-7-8-11-9(10)4-2/h9H,3-8H2,1-2H3.
What are the key properties of 3-butyl-2-ethyl-1,3-thiazolidine?
3-butyl-2-ethyl-1,3-thiazolidine has a molecular weight of 173.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-ethyl-1,3-thiazolidine is sourced from PubChem (CID 13356757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).