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

C7H15NS — CID 525967

IUPAC2-butan-2-yl-1,3-thiazolidine
SMILESCCC(C)C1NCCS1
InChIInChI=1S/C7H15NS/c1-3-6(2)7-8-4-5-9-7/h6-8H,3-5H2,1-2H3
InChIKeyFIEBNWSCVQZSGR-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.70
Rot. Bonds2

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

2-butan-2-yl-1,3-thiazolidine (PubChem CID 525967) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-butan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name2-butan-2-yl-1,3-thiazolidine
PubChem CID525967
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-butan-2-yl-1,3-thiazolidine
SMILESCCC(C)C1NCCS1
InChIInChI=1S/C7H15NS/c1-3-6(2)7-8-4-5-9-7/h6-8H,3-5H2,1-2H3
InChIKeyFIEBNWSCVQZSGR-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,3-thiazolidine?
The IUPAC name of 2-butan-2-yl-1,3-thiazolidine (CID 525967) is 2-butan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 2-butan-2-yl-1,3-thiazolidine?
The canonical SMILES for 2-butan-2-yl-1,3-thiazolidine is CCC(C)C1NCCS1.
What is the InChIKey of 2-butan-2-yl-1,3-thiazolidine?
The InChIKey is FIEBNWSCVQZSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-6(2)7-8-4-5-9-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-butan-2-yl-1,3-thiazolidine?
2-butan-2-yl-1,3-thiazolidine has a molecular weight of 145.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 525967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).