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

C14H20F3N3O2S — CID 67549095

IUPACtert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1C(F)(F)F
InChIInChI=1S/C14H20F3N3O2S/c1-9-10(14(15,16)17)23-11(18-9)19-5-7-20(8-6-19)12(21)22-13(2,3)4/h5-8H2,1-4H3
InChIKeyAWXVSQKZXVWJHT-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.53
Rot. Bonds1

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

tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (PubChem CID 67549095) has the molecular formula C14H20F3N3O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
PubChem CID67549095
Molecular FormulaC14H20F3N3O2S
Molecular Weight351.39 g/mol
Exact Mass351.12
IUPAC Nametert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1C(F)(F)F
InChIInChI=1S/C14H20F3N3O2S/c1-9-10(14(15,16)17)23-11(18-9)19-5-7-20(8-6-19)12(21)22-13(2,3)4/h5-8H2,1-4H3
InChIKeyAWXVSQKZXVWJHT-UHFFFAOYSA-N
XLogP3.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (CID 67549095) is tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)sc1C(F)(F)F.
What is the InChIKey of tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The InChIKey is AWXVSQKZXVWJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2S/c1-9-10(14(15,16)17)23-11(18-9)19-5-7-20(8-6-19)12(21)22-13(2,3)4/h5-8H2,1-4H3.
What are the key properties of tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate has a molecular weight of 351.39 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 67549095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).