3,4-di(propan-2-yl)-1,3-thiazolidine

C9H19NS — CID 58778672

IUPAC3,4-di(propan-2-yl)-1,3-thiazolidine
SMILESCC(C)C1CSCN1C(C)C
InChIInChI=1S/C9H19NS/c1-7(2)9-5-11-6-10(9)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyOWLIFHFXTNTYDF-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.43
Rot. Bonds2

About 3,4-di(propan-2-yl)-1,3-thiazolidine

3,4-di(propan-2-yl)-1,3-thiazolidine (PubChem CID 58778672) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,3-thiazolidine
PubChem CID58778672
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name3,4-di(propan-2-yl)-1,3-thiazolidine
SMILESCC(C)C1CSCN1C(C)C
InChIInChI=1S/C9H19NS/c1-7(2)9-5-11-6-10(9)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyOWLIFHFXTNTYDF-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,3-thiazolidine?
The IUPAC name of 3,4-di(propan-2-yl)-1,3-thiazolidine (CID 58778672) is 3,4-di(propan-2-yl)-1,3-thiazolidine.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,3-thiazolidine?
The canonical SMILES for 3,4-di(propan-2-yl)-1,3-thiazolidine is CC(C)C1CSCN1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,3-thiazolidine?
The InChIKey is OWLIFHFXTNTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-7(2)9-5-11-6-10(9)8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,3-thiazolidine?
3,4-di(propan-2-yl)-1,3-thiazolidine has a molecular weight of 173.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,3-thiazolidine is sourced from PubChem (CID 58778672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).