tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate

C11H19N5O2S — CID 171661148

IUPACtert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nsc(N)n2)CC1
InChIInChI=1S/C11H19N5O2S/c1-11(2,3)18-10(17)16-6-4-15(5-7-16)9-13-8(12)19-14-9/h4-7H2,1-3H3,(H2,12,13,14)
InChIKeyJFALJOWVMVPJFP-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.18
Rot. Bonds1

About tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate

tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate (PubChem CID 171661148) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate
PubChem CID171661148
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Nametert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nsc(N)n2)CC1
InChIInChI=1S/C11H19N5O2S/c1-11(2,3)18-10(17)16-6-4-15(5-7-16)9-13-8(12)19-14-9/h4-7H2,1-3H3,(H2,12,13,14)
InChIKeyJFALJOWVMVPJFP-UHFFFAOYSA-N
XLogP1.18
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate (CID 171661148) is tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2nsc(N)n2)CC1.
What is the InChIKey of tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate?
The InChIKey is JFALJOWVMVPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-11(2,3)18-10(17)16-6-4-15(5-7-16)9-13-8(12)19-14-9/h4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate has a molecular weight of 285.37 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 171661148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).