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

C6H13NS — CID 15163848

IUPAC3-propan-2-yl-1,3-thiazolidine
SMILESCC(C)N1CCSC1
InChIInChI=1S/C6H13NS/c1-6(2)7-3-4-8-5-7/h6H,3-5H2,1-2H3
InChIKeyOZLMOVCAYGFOAR-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.40
Rot. Bonds1

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

3-propan-2-yl-1,3-thiazolidine (PubChem CID 15163848) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name3-propan-2-yl-1,3-thiazolidine
PubChem CID15163848
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3-propan-2-yl-1,3-thiazolidine
SMILESCC(C)N1CCSC1
InChIInChI=1S/C6H13NS/c1-6(2)7-3-4-8-5-7/h6H,3-5H2,1-2H3
InChIKeyOZLMOVCAYGFOAR-UHFFFAOYSA-N
XLogP1.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 3-propan-2-yl-1,3-thiazolidine (CID 15163848) is 3-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 3-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 3-propan-2-yl-1,3-thiazolidine is CC(C)N1CCSC1.
What is the InChIKey of 3-propan-2-yl-1,3-thiazolidine?
The InChIKey is OZLMOVCAYGFOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(2)7-3-4-8-5-7/h6H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,3-thiazolidine?
3-propan-2-yl-1,3-thiazolidine has a molecular weight of 131.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 15163848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).