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

C10H13F3N2S — CID 174498442

IUPAC2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(Cc2nccs2)CC1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)8-1-4-15(5-2-8)7-9-14-3-6-16-9/h3,6,8H,1-2,4-5,7H2
InChIKeyGSKYTUYPKVIROV-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.92
Rot. Bonds2

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

2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 174498442) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID174498442
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(Cc2nccs2)CC1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)8-1-4-15(5-2-8)7-9-14-3-6-16-9/h3,6,8H,1-2,4-5,7H2
InChIKeyGSKYTUYPKVIROV-UHFFFAOYSA-N
XLogP2.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-Thiazol-2-yl)piperidine
CID 24261825
2-(Piperidin-4-ylmethyl)thiazole
CID 24262107
2-[[9-(Cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370618
2-(3-Piperidin-1-ylprop-1-ynyl)-1,3-thiazole
CID 20071653
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
2-[3,3-Dimethyl-2-(trifluoromethyl)butyl]-1,3-thiazole
CID 57881403
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-[2-(Trifluoromethyl)butyl]-1,3-thiazole
CID 68236921
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile
CID 118297230
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 118297231

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 174498442) is 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is FC(F)(F)C1CCN(Cc2nccs2)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is GSKYTUYPKVIROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c11-10(12,13)8-1-4-15(5-2-8)7-9-14-3-6-16-9/h3,6,8H,1-2,4-5,7H2.
What are the key properties of 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 250.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 174498442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).