3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine

C12H25NS — CID 18185948

IUPAC3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
SMILESCCC(C)N1CC(C)(C)SC1C(C)C
InChIInChI=1S/C12H25NS/c1-7-10(4)13-8-12(5,6)14-11(13)9(2)3/h9-11H,7-8H2,1-6H3
InChIKeyDDMIYTGCBJTSOZ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.59
Rot. Bonds3

About 3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine

3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine (PubChem CID 18185948) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
PubChem CID18185948
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
SMILESCCC(C)N1CC(C)(C)SC1C(C)C
InChIInChI=1S/C12H25NS/c1-7-10(4)13-8-12(5,6)14-11(13)9(2)3/h9-11H,7-8H2,1-6H3
InChIKeyDDMIYTGCBJTSOZ-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazolidine, 3-(3-(butylthio)propyl)-, hydrochloride
CID 3038842
(2R,4R)-4-fluoro-2-methylsulfanyl-1-propan-2-ylpyrrolidine
CID 146374941
3-Butan-2-yl-1,1-difluoro-4-propan-2-yl-1,3-thiazolidine
CID 169665405
2,2,5-Trimethyl-3-ethylthiazolidine
CID 12654790
3-(3-Butylsulfanylpropyl)-1,3-thiazolidine
CID 3038843
3-Methyl-1-(3-methylsulfanylpropyl)pyrrolidine
CID 10397262
3-Butyl-2-ethyl-1,3-thiazolidine
CID 13356757
3-Butyl-2-propyl-1,3-thiazolidine
CID 13356758
3-Butyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 13356759
5,5-Dimethyl-3-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine
CID 9877794
5,5-Dimethyl-3-(2-methylpropyl)-1,3-thiazolidine
CID 9898960
3-Butan-2-yl-5,5-dimethyl-1,3-thiazolidine
CID 18185947

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine (CID 18185948) is 3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine is CCC(C)N1CC(C)(C)SC1C(C)C.
What is the InChIKey of 3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine?
The InChIKey is DDMIYTGCBJTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-7-10(4)13-8-12(5,6)14-11(13)9(2)3/h9-11H,7-8H2,1-6H3.
What are the key properties of 3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine?
3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine has a molecular weight of 215.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 18185948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).