3-butan-2-yl-1,3-thiazolidine

C7H15NS — CID 15163850

IUPAC3-butan-2-yl-1,3-thiazolidine
SMILESCCC(C)N1CCSC1
InChIInChI=1S/C7H15NS/c1-3-7(2)8-4-5-9-6-8/h7H,3-6H2,1-2H3
InChIKeyWEEAHYKKZDAQPY-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.79
Rot. Bonds2

About 3-butan-2-yl-1,3-thiazolidine

3-butan-2-yl-1,3-thiazolidine (PubChem CID 15163850) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-butan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name3-butan-2-yl-1,3-thiazolidine
PubChem CID15163850
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-butan-2-yl-1,3-thiazolidine
SMILESCCC(C)N1CCSC1
InChIInChI=1S/C7H15NS/c1-3-7(2)8-4-5-9-6-8/h7H,3-6H2,1-2H3
InChIKeyWEEAHYKKZDAQPY-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-butan-2-yl-1,3-thiazolidine?
The IUPAC name of 3-butan-2-yl-1,3-thiazolidine (CID 15163850) is 3-butan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 3-butan-2-yl-1,3-thiazolidine?
The canonical SMILES for 3-butan-2-yl-1,3-thiazolidine is CCC(C)N1CCSC1.
What is the InChIKey of 3-butan-2-yl-1,3-thiazolidine?
The InChIKey is WEEAHYKKZDAQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-7(2)8-4-5-9-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 3-butan-2-yl-1,3-thiazolidine?
3-butan-2-yl-1,3-thiazolidine has a molecular weight of 145.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 15163850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).