4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole

C13H20F2N2S — CID 171333783

IUPAC4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H20F2N2S/c1-12(2,3)10-9-18-11(16-10)8-17-6-4-13(14,15)5-7-17/h9H,4-8H2,1-3H3
InChIKeyYMPDXPYXTLCHMT-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.67
Rot. Bonds2

About 4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole

4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 171333783) has the molecular formula C13H20F2N2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID171333783
Molecular FormulaC13H20F2N2S
Molecular Weight274.38 g/mol
Exact Mass274.13
IUPAC Name4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H20F2N2S/c1-12(2,3)10-9-18-11(16-10)8-17-6-4-13(14,15)5-7-17/h9H,4-8H2,1-3H3
InChIKeyYMPDXPYXTLCHMT-UHFFFAOYSA-N
XLogP3.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole (CID 171333783) is 4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole is CC(C)(C)c1csc(CN2CCC(F)(F)CC2)n1.
What is the InChIKey of 4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is YMPDXPYXTLCHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2S/c1-12(2,3)10-9-18-11(16-10)8-17-6-4-13(14,15)5-7-17/h9H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole?
4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 274.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 171333783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).