5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole

C9H12F2N2S — CID 142825974

IUPAC5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
SMILESCc1ncc(N2CCC(F)(F)CC2)s1
InChIInChI=1S/C9H12F2N2S/c1-7-12-6-8(14-7)13-4-2-9(10,11)3-5-13/h6H,2-5H2,1H3
InChIKeyFZSZDYOBBPWHGT-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.69
Rot. Bonds1

About 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole

5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole (PubChem CID 142825974) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
PubChem CID142825974
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
SMILESCc1ncc(N2CCC(F)(F)CC2)s1
InChIInChI=1S/C9H12F2N2S/c1-7-12-6-8(14-7)13-4-2-9(10,11)3-5-13/h6H,2-5H2,1H3
InChIKeyFZSZDYOBBPWHGT-UHFFFAOYSA-N
XLogP2.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-Fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571133
5-(4-Fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571137
5-[2-(4,4-Difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole
CID 58328458
2-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 68186460
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721479
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile
CID 118297230
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 142825973
5-(3,3-Difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 143331090
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane
CID 144898608
2-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 174498442
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine
CID 106784017
5-Piperazin-1-yl-2-(trifluoromethyl)-1,3-thiazole
CID 106784018

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole (CID 142825974) is 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole is Cc1ncc(N2CCC(F)(F)CC2)s1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole?
The InChIKey is FZSZDYOBBPWHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c1-7-12-6-8(14-7)13-4-2-9(10,11)3-5-13/h6H,2-5H2,1H3.
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole?
5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole has a molecular weight of 218.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 142825974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).