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

C13H21N3O2S — CID 171660047

IUPACtert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
SMILESCc1nc(C2CCCN(C(=O)OC(C)(C)C)C2)ns1
InChIInChI=1S/C13H21N3O2S/c1-9-14-11(15-19-9)10-6-5-7-16(8-10)12(17)18-13(2,3)4/h10H,5-8H2,1-4H3
InChIKeyNMNLUHKGXUFWGV-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.96
Rot. Bonds1

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

tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate (PubChem CID 171660047) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
PubChem CID171660047
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nametert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
SMILESCc1nc(C2CCCN(C(=O)OC(C)(C)C)C2)ns1
InChIInChI=1S/C13H21N3O2S/c1-9-14-11(15-19-9)10-6-5-7-16(8-10)12(17)18-13(2,3)4/h10H,5-8H2,1-4H3
InChIKeyNMNLUHKGXUFWGV-UHFFFAOYSA-N
XLogP2.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
CID 71920272
tert-butyl N-methyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]carbamate
CID 71871152
Tert-butyl 3-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-carboxylate
CID 66762121
Tert-butyl 1-(3-isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 89543407
Tert-butyl 3-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate
CID 132081853
tert-butyl (3S)-3-[(3-methyl-1,2,4-thiadiazol-5-yl)methoxymethyl]piperidine-1-carboxylate
CID 140121325
Tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate
CID 140766019
Tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
CID 141188005
Tert-butyl 3-(5-iodo-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
CID 171659826
Tert-butyl 4-(5-bromo-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
CID 171659993
Tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate;ethane
CID 171660046
Tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
CID 171661387

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate (CID 171660047) is tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate is Cc1nc(C2CCCN(C(=O)OC(C)(C)C)C2)ns1.
What is the InChIKey of tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate?
The InChIKey is NMNLUHKGXUFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-14-11(15-19-9)10-6-5-7-16(8-10)12(17)18-13(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171660047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).