[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate

C13H18F3N3O2S — CID 174933563

IUPAC[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C13H18F3N3O2S/c1-12(2,3)10(20)21-19-6-4-18(5-7-19)11-17-9(8-22-11)13(14,15)16/h8H,4-7H2,1-3H3
InChIKeyONPLFUATNGVXDI-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.79
Rot. Bonds2

About [4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate

[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174933563) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID174933563
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC Name[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C13H18F3N3O2S/c1-12(2,3)10(20)21-19-6-4-18(5-7-19)11-17-9(8-22-11)13(14,15)16/h8H,4-7H2,1-3H3
InChIKeyONPLFUATNGVXDI-UHFFFAOYSA-N
XLogP2.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174550493
methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 112752462
trans-(1R,2R)-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 167872607
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 171701843
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 69066579
N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide
CID 163351231
N,6-dimethyl-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 167927969
2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 113369888
[4-[5-(chloromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174435712
N-cyclopropyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 163348930
2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 154873327
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 82514922

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate (CID 174933563) is [4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCN(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of [4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is ONPLFUATNGVXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c1-12(2,3)10(20)21-19-6-4-18(5-7-19)11-17-9(8-22-11)13(14,15)16/h8H,4-7H2,1-3H3.
What are the key properties of [4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate?
[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 337.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174933563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).