5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole

C12H19FN2S — CID 23571133

IUPAC5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(N2CCCC(C)(F)C2)s1
InChIInChI=1S/C12H19FN2S/c1-9(2)11-14-7-10(16-11)15-6-4-5-12(3,13)8-15/h7,9H,4-6,8H2,1-3H3
InChIKeyWUAKTMRLJITNCB-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.59
Rot. Bonds2

About 5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole

5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole (PubChem CID 23571133) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
PubChem CID23571133
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Name5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(N2CCCC(C)(F)C2)s1
InChIInChI=1S/C12H19FN2S/c1-9(2)11-14-7-10(16-11)15-6-4-5-12(3,13)8-15/h7,9H,4-6,8H2,1-3H3
InChIKeyWUAKTMRLJITNCB-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571137
5-(3-Fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571142
2-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 68186460
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 142825973
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
CID 142825974
2-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 174498442
2-[4-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole
CID 174585514
2-[3-(1,3-Thiazol-2-yl)piperidin-1-yl]ethanamine
CID 121669495
2-[(3-Fluoro-3-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 126790277
2-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3-thiazole
CID 126794550
2-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488110
2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488111

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole (CID 23571133) is 5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(N2CCCC(C)(F)C2)s1.
What is the InChIKey of 5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is WUAKTMRLJITNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2S/c1-9(2)11-14-7-10(16-11)15-6-4-5-12(3,13)8-15/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole?
5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 242.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 23571133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).