tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate

C13H21N3O2S — CID 162376434

IUPACtert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
SMILESCc1nsc(N2CCC(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C13H21N3O2S/c1-9-14-12(19-15-9)16-7-5-10(6-8-16)11(17)18-13(2,3)4/h10H,5-8H2,1-4H3
InChIKeyNRFFSSVRAZHFIF-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.40
Rot. Bonds2

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

tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate (PubChem CID 162376434) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
PubChem CID162376434
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nametert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
SMILESCc1nsc(N2CCC(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C13H21N3O2S/c1-9-14-12(19-15-9)16-7-5-10(6-8-16)11(17)18-13(2,3)4/h10H,5-8H2,1-4H3
InChIKeyNRFFSSVRAZHFIF-UHFFFAOYSA-N
XLogP2.40
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate (CID 162376434) is tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate is Cc1nsc(N2CCC(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate?
The InChIKey is NRFFSSVRAZHFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-14-12(19-15-9)16-7-5-10(6-8-16)11(17)18-13(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate?
tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate is sourced from PubChem (CID 162376434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).