3,4,5-tri(propan-2-yl)-1,3-thiazolidine

C12H25NS — CID 166020057

IUPAC3,4,5-tri(propan-2-yl)-1,3-thiazolidine
SMILESCC(C)C1SCN(C(C)C)C1C(C)C
InChIInChI=1S/C12H25NS/c1-8(2)11-12(9(3)4)14-7-13(11)10(5)6/h8-12H,7H2,1-6H3
InChIKeyTZQQVSBIUULERV-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.45
Rot. Bonds3

About 3,4,5-tri(propan-2-yl)-1,3-thiazolidine

3,4,5-tri(propan-2-yl)-1,3-thiazolidine (PubChem CID 166020057) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3,4,5-tri(propan-2-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name3,4,5-tri(propan-2-yl)-1,3-thiazolidine
PubChem CID166020057
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3,4,5-tri(propan-2-yl)-1,3-thiazolidine
SMILESCC(C)C1SCN(C(C)C)C1C(C)C
InChIInChI=1S/C12H25NS/c1-8(2)11-12(9(3)4)14-7-13(11)10(5)6/h8-12H,7H2,1-6H3
InChIKeyTZQQVSBIUULERV-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-3,4-di(propan-2-yl)-1,3-thiazolidine
CID 59610564
(2S,3R)-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 146572367
3,4,5-tri(propan-2-yl)-1,3-oxazolidine
CID 166020225
(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane
CID 166831910
(1R,2R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane
CID 170300237
2,3,4-tri(propan-2-yl)morpholine
CID 166020055
(2S)-4-methyl-2-propan-2-yl-1,3,4-thiadiazolidine
CID 174321953
1,2,5-tri(propan-2-yl)azepane
CID 176801550
2-fluoro-1-propan-2-ylaziridine
CID 166046401
3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778810
3-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778374
3,5-dichloro-2-propan-2-ylthiomorpholine
CID 57193552

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tri(propan-2-yl)-1,3-thiazolidine?
The IUPAC name of 3,4,5-tri(propan-2-yl)-1,3-thiazolidine (CID 166020057) is 3,4,5-tri(propan-2-yl)-1,3-thiazolidine.
What is the SMILES notation for 3,4,5-tri(propan-2-yl)-1,3-thiazolidine?
The canonical SMILES for 3,4,5-tri(propan-2-yl)-1,3-thiazolidine is CC(C)C1SCN(C(C)C)C1C(C)C.
What is the InChIKey of 3,4,5-tri(propan-2-yl)-1,3-thiazolidine?
The InChIKey is TZQQVSBIUULERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-8(2)11-12(9(3)4)14-7-13(11)10(5)6/h8-12H,7H2,1-6H3.
What are the key properties of 3,4,5-tri(propan-2-yl)-1,3-thiazolidine?
3,4,5-tri(propan-2-yl)-1,3-thiazolidine has a molecular weight of 215.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tri(propan-2-yl)-1,3-thiazolidine is sourced from PubChem (CID 166020057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).