3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine

C12H25NS — CID 134441587

IUPAC3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine
SMILESCCC(C)(CC)CCCN1CCSC1
InChIInChI=1S/C12H25NS/c1-4-12(3,5-2)7-6-8-13-9-10-14-11-13/h4-11H2,1-3H3
InChIKeyZVDJBTXGKZDAHQ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.60
Rot. Bonds6

About 3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine

3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine (PubChem CID 134441587) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine
PubChem CID134441587
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine
SMILESCCC(C)(CC)CCCN1CCSC1
InChIInChI=1S/C12H25NS/c1-4-12(3,5-2)7-6-8-13-9-10-14-11-13/h4-11H2,1-3H3
InChIKeyZVDJBTXGKZDAHQ-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine (CID 134441587) is 3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine is CCC(C)(CC)CCCN1CCSC1.
What is the InChIKey of 3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine?
The InChIKey is ZVDJBTXGKZDAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-12(3,5-2)7-6-8-13-9-10-14-11-13/h4-11H2,1-3H3.
What are the key properties of 3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine?
3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine has a molecular weight of 215.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylhexyl)-1,3-thiazolidine is sourced from PubChem (CID 134441587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).