4-propan-2-yl-1,3-thiazolidine

C6H13NS — CID 23588978

IUPAC4-propan-2-yl-1,3-thiazolidine
SMILESCC(C)C1CSCN1
InChIInChI=1S/C6H13NS/c1-5(2)6-3-8-4-7-6/h5-7H,3-4H2,1-2H3
InChIKeyOOFCJUORNUCTAI-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.30
Rot. Bonds1

About 4-propan-2-yl-1,3-thiazolidine

4-propan-2-yl-1,3-thiazolidine (PubChem CID 23588978) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name4-propan-2-yl-1,3-thiazolidine
PubChem CID23588978
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name4-propan-2-yl-1,3-thiazolidine
SMILESCC(C)C1CSCN1
InChIInChI=1S/C6H13NS/c1-5(2)6-3-8-4-7-6/h5-7H,3-4H2,1-2H3
InChIKeyOOFCJUORNUCTAI-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 4-propan-2-yl-1,3-thiazolidine (CID 23588978) is 4-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 4-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 4-propan-2-yl-1,3-thiazolidine is CC(C)C1CSCN1.
What is the InChIKey of 4-propan-2-yl-1,3-thiazolidine?
The InChIKey is OOFCJUORNUCTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5(2)6-3-8-4-7-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,3-thiazolidine?
4-propan-2-yl-1,3-thiazolidine has a molecular weight of 131.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 23588978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).