3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine

C14H26F2N2S — CID 138722472

IUPAC3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine
SMILESCCC(C)N1CSC(C(C)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H26F2N2S/c1-4-11(2)18-9-13(19-10-18)12(3)17-7-5-14(15,16)6-8-17/h11-13H,4-10H2,1-3H3
InChIKeyMGIGBQMKCNTXBI-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.28
Rot. Bonds4

About 3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine

3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine (PubChem CID 138722472) has the molecular formula C14H26F2N2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine
PubChem CID138722472
Molecular FormulaC14H26F2N2S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine
SMILESCCC(C)N1CSC(C(C)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H26F2N2S/c1-4-11(2)18-9-13(19-10-18)12(3)17-7-5-14(15,16)6-8-17/h11-13H,4-10H2,1-3H3
InChIKeyMGIGBQMKCNTXBI-UHFFFAOYSA-N
XLogP3.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine?
The IUPAC name of 3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine (CID 138722472) is 3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine.
What is the SMILES notation for 3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine?
The canonical SMILES for 3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine is CCC(C)N1CSC(C(C)N2CCC(F)(F)CC2)C1.
What is the InChIKey of 3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine?
The InChIKey is MGIGBQMKCNTXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2S/c1-4-11(2)18-9-13(19-10-18)12(3)17-7-5-14(15,16)6-8-17/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine?
3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine has a molecular weight of 292.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-[1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazolidine is sourced from PubChem (CID 138722472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).