tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate

C15H22F3N3O2S — CID 134165321

IUPACtert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate
SMILESCc1nc(C(F)(F)F)sc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1
InChIInChI=1S/C15H22F3N3O2S/c1-9-8-20(6-7-21(9)13(22)23-14(3,4)5)11-10(2)19-12(24-11)15(16,17)18/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyITSDETNLPJPMRW-SECBINFHSA-N
MW365.42 g/mol
LogP3.92
Rot. Bonds1

About tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate

tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate (PubChem CID 134165321) has the molecular formula C15H22F3N3O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate
PubChem CID134165321
Molecular FormulaC15H22F3N3O2S
Molecular Weight365.42 g/mol
Exact Mass365.14
IUPAC Nametert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate
SMILESCc1nc(C(F)(F)F)sc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1
InChIInChI=1S/C15H22F3N3O2S/c1-9-8-20(6-7-21(9)13(22)23-14(3,4)5)11-10(2)19-12(24-11)15(16,17)18/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyITSDETNLPJPMRW-SECBINFHSA-N
XLogP3.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate (CID 134165321) is tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate is Cc1nc(C(F)(F)F)sc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1.
What is the InChIKey of tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate?
The InChIKey is ITSDETNLPJPMRW-SECBINFHSA-N. The full InChI is InChI=1S/C15H22F3N3O2S/c1-9-8-20(6-7-21(9)13(22)23-14(3,4)5)11-10(2)19-12(24-11)15(16,17)18/h9H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate?
tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate has a molecular weight of 365.42 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 134165321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).