2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole

C13H20F2N2S — CID 146338346

IUPAC2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1ncc(CN2CCCC(F)(F)C2)s1
InChIInChI=1S/C13H20F2N2S/c1-12(2,3)11-16-7-10(18-11)8-17-6-4-5-13(14,15)9-17/h7H,4-6,8-9H2,1-3H3
InChIKeyFEDKFCKFTSWXLD-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.67
Rot. Bonds2

About 2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole

2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 146338346) has the molecular formula C13H20F2N2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID146338346
Molecular FormulaC13H20F2N2S
Molecular Weight274.38 g/mol
Exact Mass274.13
IUPAC Name2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1ncc(CN2CCCC(F)(F)C2)s1
InChIInChI=1S/C13H20F2N2S/c1-12(2,3)11-16-7-10(18-11)8-17-6-4-5-13(14,15)9-17/h7H,4-6,8-9H2,1-3H3
InChIKeyFEDKFCKFTSWXLD-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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Related Compounds

1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methylpiperidine
CID 4616493
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidine
CID 1481531
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidine
CID 3736777
2-chloro-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 1481538
1-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75500661
5-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 126793861
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine
CID 132290754
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297235
2-(4,4-Difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 118302995
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine
CID 118303036
2-(2-Tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 118303039
5-(Piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 120833676

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole (CID 146338346) is 2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole is CC(C)(C)c1ncc(CN2CCCC(F)(F)C2)s1.
What is the InChIKey of 2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is FEDKFCKFTSWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2S/c1-12(2,3)11-16-7-10(18-11)8-17-6-4-5-13(14,15)9-17/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole?
2-tert-butyl-5-[(3,3-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 2-tert-butyl-5-[(3,3-difluoropiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 146338346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).