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

C11H18N4O2S — CID 121006280

IUPACtert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncns2)CC1
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)15-6-4-14(5-7-15)9-12-8-13-18-9/h8H,4-7H2,1-3H3
InChIKeyJJQCYDHEQSJWCA-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.60
Rot. Bonds1

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

tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate (PubChem CID 121006280) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
PubChem CID121006280
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Nametert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncns2)CC1
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)15-6-4-14(5-7-15)9-12-8-13-18-9/h8H,4-7H2,1-3H3
InChIKeyJJQCYDHEQSJWCA-UHFFFAOYSA-N
XLogP1.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-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 (1S,4S)-5-(1,2,4-thiadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 15813430
Tert-butyl 5-(1,2,4-thiadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 18999107
4-(5-Chloro-[1,2,4]thiadiazol-3-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 66523695
tert-butyl (1S)-5-(1,2,4-thiadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67783573
Tert-butyl 4-(3-bromo-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
CID 71186250
tert-Butyl 4-(3-chloro-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
CID 133060500
tert-butyl N-[3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-yl]carbamate
CID 167450217
Tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate;ethane
CID 171659919
Tert-butyl 4-(5-methyl-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate
CID 171659920
Tert-butyl 4-(5-iodo-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate
CID 171660240
Tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperazine-1-carboxylate
CID 171661148
Tert-butyl 7-(3-chloro-1,2,4-thiadiazol-5-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 177766555

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate (CID 121006280) is tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncns2)CC1.
What is the InChIKey of tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The InChIKey is JJQCYDHEQSJWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,3)17-10(16)15-6-4-14(5-7-15)9-12-8-13-18-9/h8H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate has a molecular weight of 270.36 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 121006280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).