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

C11H18F2N2S — CID 142825973

IUPAC5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
SMILESCC.Cc1ncc(N2CCC(F)(F)CC2)s1
InChIInChI=1S/C9H12F2N2S.C2H6/c1-7-12-6-8(14-7)13-4-2-9(10,11)3-5-13;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeySTNIZBRUQKDCEX-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.71
Rot. Bonds1

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

5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane (PubChem CID 142825973) has the molecular formula C11H18F2N2S and a molecular weight of 248.34 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
PubChem CID142825973
Molecular FormulaC11H18F2N2S
Molecular Weight248.34 g/mol
Exact Mass248.12
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
SMILESCC.Cc1ncc(N2CCC(F)(F)CC2)s1
InChIInChI=1S/C9H12F2N2S.C2H6/c1-7-12-6-8(14-7)13-4-2-9(10,11)3-5-13;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeySTNIZBRUQKDCEX-UHFFFAOYSA-N
XLogP3.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.71
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
CID 142825974
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
N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61284047
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine
CID 106784017

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane (CID 142825973) is 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane is CC.Cc1ncc(N2CCC(F)(F)CC2)s1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane?
The InChIKey is STNIZBRUQKDCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S.C2H6/c1-7-12-6-8(14-7)13-4-2-9(10,11)3-5-13;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane?
5-(4,4-difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane has a molecular weight of 248.34 g/mol, XLogP of 3.71, 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;ethane is sourced from PubChem (CID 142825973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).