5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole

C12H18F2N2S — CID 123320280

IUPAC5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole
SMILESCCC(c1scnc1C)N1CCCC(F)(F)C1
InChIInChI=1S/C12H18F2N2S/c1-3-10(11-9(2)15-8-17-11)16-6-4-5-12(13,14)7-16/h8,10H,3-7H2,1-2H3
InChIKeySXWMUEWIFXPVTM-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.63
Rot. Bonds3

About 5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole

5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole (PubChem CID 123320280) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is 5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole
PubChem CID123320280
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC Name5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole
SMILESCCC(c1scnc1C)N1CCCC(F)(F)C1
InChIInChI=1S/C12H18F2N2S/c1-3-10(11-9(2)15-8-17-11)16-6-4-5-12(13,14)7-16/h8,10H,3-7H2,1-2H3
InChIKeySXWMUEWIFXPVTM-UHFFFAOYSA-N
XLogP3.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole (CID 123320280) is 5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole is CCC(c1scnc1C)N1CCCC(F)(F)C1.
What is the InChIKey of 5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole?
The InChIKey is SXWMUEWIFXPVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2S/c1-3-10(11-9(2)15-8-17-11)16-6-4-5-12(13,14)7-16/h8,10H,3-7H2,1-2H3.
What are the key properties of 5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole?
5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole has a molecular weight of 260.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3-difluoropiperidin-1-yl)propyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 123320280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).