tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate

C15H20N4O2S2 — CID 68777852

IUPACtert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nc(-c3cccs3)ns2)CC1
InChIInChI=1S/C15H20N4O2S2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-16-12(17-23-13)11-5-4-10-22-11/h4-5,10H,6-9H2,1-3H3
InChIKeySJDKNQBFNOSNTK-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.32
Rot. Bonds2

About tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate

tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate (PubChem CID 68777852) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
PubChem CID68777852
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC Nametert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nc(-c3cccs3)ns2)CC1
InChIInChI=1S/C15H20N4O2S2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-16-12(17-23-13)11-5-4-10-22-11/h4-5,10H,6-9H2,1-3H3
InChIKeySJDKNQBFNOSNTK-UHFFFAOYSA-N
XLogP3.32
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazine-1-carboxylate
CID 46532994
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxylate
CID 78903563
tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
CID 71633459
1-O-tert-butyl 4-O-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,4-dicarboxylate
CID 8924701
tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
CID 108889284
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-benzothiazole-5-carboxylic acid
CID 137346705
tert-butyl 4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylidene]piperidine-1-carboxylate
CID 66709326
tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate
CID 104933493
tert-butyl 4-[(5-chloro-2-thiophen-2-yl-7,8-dihydroquinolin-6-yl)methyl]piperazine-1-carboxylate
CID 155515167
tert-butyl 4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-5-yl]piperazine-1-carboxylate
CID 160520842
tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
CID 134342426

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate (CID 68777852) is tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccs3)ns2)CC1.
What is the InChIKey of tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
The InChIKey is SJDKNQBFNOSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-16-12(17-23-13)11-5-4-10-22-11/h4-5,10H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate?
tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate has a molecular weight of 352.49 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 68777852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).