[4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate

C14H20F3N3O2S — CID 174550493

IUPAC[4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCc1nc(N2CCN(OC(=O)C(C)(C)C)CC2)sc1C(F)(F)F
InChIInChI=1S/C14H20F3N3O2S/c1-9-10(14(15,16)17)23-12(18-9)19-5-7-20(8-6-19)22-11(21)13(2,3)4/h5-8H2,1-4H3
InChIKeyHBIKFXQVUHXSQV-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.10
Rot. Bonds2

About [4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate

[4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174550493) has the molecular formula C14H20F3N3O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is [4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID174550493
Molecular FormulaC14H20F3N3O2S
Molecular Weight351.39 g/mol
Exact Mass351.12
IUPAC Name[4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCc1nc(N2CCN(OC(=O)C(C)(C)C)CC2)sc1C(F)(F)F
InChIInChI=1S/C14H20F3N3O2S/c1-9-10(14(15,16)17)23-12(18-9)19-5-7-20(8-6-19)22-11(21)13(2,3)4/h5-8H2,1-4H3
InChIKeyHBIKFXQVUHXSQV-UHFFFAOYSA-N
XLogP3.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174933563
[4-[5-(chloromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174435712
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427948
2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427967
2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427864
1-[methylidene-[3-[4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbonyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-oxo-λ6-sulfanyl]ethanone
CID 162552195
[4-(6-bromo-2-pyridinyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174614441
2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427984
[4-[2-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174924772
[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174557478
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570720
[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174802403

Frequently Asked Questions

What is the IUPAC name of [4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate (CID 174550493) is [4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate is Cc1nc(N2CCN(OC(=O)C(C)(C)C)CC2)sc1C(F)(F)F.
What is the InChIKey of [4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is HBIKFXQVUHXSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2S/c1-9-10(14(15,16)17)23-12(18-9)19-5-7-20(8-6-19)22-11(21)13(2,3)4/h5-8H2,1-4H3.
What are the key properties of [4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate?
[4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 351.39 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174550493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).