tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate

C12H20N4O2S — CID 133499494

IUPACtert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
SMILESC[C@@H]1CN(c2ncns2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20N4O2S/c1-9-7-15(10-13-8-14-19-10)5-6-16(9)11(17)18-12(2,3)4/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyLFXHCFPKNPTIOP-SECBINFHSA-N
MW284.38 g/mol
LogP1.98
Rot. Bonds1

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

tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate (PubChem CID 133499494) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
PubChem CID133499494
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Nametert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
SMILESC[C@@H]1CN(c2ncns2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20N4O2S/c1-9-7-15(10-13-8-14-19-10)5-6-16(9)11(17)18-12(2,3)4/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyLFXHCFPKNPTIOP-SECBINFHSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate (CID 133499494) is tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate is C[C@@H]1CN(c2ncns2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The InChIKey is LFXHCFPKNPTIOP-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-7-15(10-13-8-14-19-10)5-6-16(9)11(17)18-12(2,3)4/h8-9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 133499494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).