2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole

C9H10F2N2S — CID 166257459

IUPAC2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole
SMILESFC(F)=C1CCN(c2nccs2)CC1
InChIInChI=1S/C9H10F2N2S/c10-8(11)7-1-4-13(5-2-7)9-12-3-6-14-9/h3,6H,1-2,4-5H2
InChIKeyWESNYFOPDCGCAN-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.89
Rot. Bonds1

About 2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole

2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole (PubChem CID 166257459) has the molecular formula C9H10F2N2S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole
PubChem CID166257459
Molecular FormulaC9H10F2N2S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole
SMILESFC(F)=C1CCN(c2nccs2)CC1
InChIInChI=1S/C9H10F2N2S/c10-8(11)7-1-4-13(5-2-7)9-12-3-6-14-9/h3,6H,1-2,4-5H2
InChIKeyWESNYFOPDCGCAN-UHFFFAOYSA-N
XLogP2.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylidenepiperidin-1-yl)-1,3-thiazole
CID 55250932
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 154830384
2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
CID 106838472
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-ol
CID 60714895
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 83151968
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
3-fluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid
CID 62649639
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole (CID 166257459) is 2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole is FC(F)=C1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole?
The InChIKey is WESNYFOPDCGCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2S/c10-8(11)7-1-4-13(5-2-7)9-12-3-6-14-9/h3,6H,1-2,4-5H2.
What are the key properties of 2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole?
2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole has a molecular weight of 216.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 166257459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).