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

C12H19N3O2S — CID 140766019

IUPACtert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncns2)CC1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)15-6-4-9(5-7-15)10-13-8-14-18-10/h8-9H,4-7H2,1-3H3
InChIKeyACYZGVYWUIKKKX-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.65
Rot. Bonds1

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

tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate (PubChem CID 140766019) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate
PubChem CID140766019
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Nametert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncns2)CC1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)15-6-4-9(5-7-15)10-13-8-14-18-10/h8-9H,4-7H2,1-3H3
InChIKeyACYZGVYWUIKKKX-UHFFFAOYSA-N
XLogP2.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

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
4-(1,2,4-Thiadiazol-5-yl)piperidine-1-carboxylic acid
CID 118294998
Tert-butyl 3-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate
CID 132081853
Tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
CID 141188005
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-methyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
CID 171660047

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate (CID 140766019) is tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ncns2)CC1.
What is the InChIKey of tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate?
The InChIKey is ACYZGVYWUIKKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)15-6-4-9(5-7-15)10-13-8-14-18-10/h8-9H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 140766019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).