tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane

C14H26N4O2S — CID 171659919

IUPACtert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane
SMILESCC.Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ns1
InChIInChI=1S/C12H20N4O2S.C2H6/c1-9-13-10(14-19-9)15-5-7-16(8-6-15)11(17)18-12(2,3)4;1-2/h5-8H2,1-4H3;1-2H3
InChIKeyBPXDEFPAXKQISW-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.93
Rot. Bonds1

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

tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane (PubChem CID 171659919) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane
PubChem CID171659919
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Nametert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane
SMILESCC.Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ns1
InChIInChI=1S/C12H20N4O2S.C2H6/c1-9-13-10(14-19-9)15-5-7-16(8-6-15)11(17)18-12(2,3)4;1-2/h5-8H2,1-4H3;1-2H3
InChIKeyBPXDEFPAXKQISW-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane (CID 171659919) is tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane is CC.Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ns1.
What is the InChIKey of tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane?
The InChIKey is BPXDEFPAXKQISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S.C2H6/c1-9-13-10(14-19-9)15-5-7-16(8-6-15)11(17)18-12(2,3)4;1-2/h5-8H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane?
tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane has a molecular weight of 314.46 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane is sourced from PubChem (CID 171659919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).