tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate

C18H24N4O3S2 — CID 56503201

IUPACtert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)Nc2nnc(-c3ccsc3)s2)CC1
InChIInChI=1S/C18H24N4O3S2/c1-18(2,3)25-17(24)22-7-4-12(5-8-22)10-14(23)19-16-21-20-15(27-16)13-6-9-26-11-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,19,21,23)
InChIKeyPFUYCQITRJYRNH-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 56503201) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate
PubChem CID56503201
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC Nametert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)Nc2nnc(-c3ccsc3)s2)CC1
InChIInChI=1S/C18H24N4O3S2/c1-18(2,3)25-17(24)22-7-4-12(5-8-22)10-14(23)19-16-21-20-15(27-16)13-6-9-26-11-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,19,21,23)
InChIKeyPFUYCQITRJYRNH-UHFFFAOYSA-N
XLogP4.24
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 60600812
tert-butyl 4-[(thiophen-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 78915930
1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077501
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
CID 53426264
tert-butyl 4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidine-1-carboxylate
CID 52774608
bicyclo[3.1.0]hexa-1(6),2,4-triene;tert-butyl 4-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]piperidine-1-carboxylate
CID 121256412
tert-butyl 4-[(6-thiophen-3-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849937
tert-butyl 4-[[[N-ethyl-N'-(thiophen-3-ylmethyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111940350
tert-butyl 3-[ethylamino(thiophen-3-yl)methyl]pyrrolidine-1-carboxylate
CID 107092467
tert-butyl 4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103730250
tert-butyl 4-[2-oxo-2-(2H-triazol-4-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 75494536

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate (CID 56503201) is tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2nnc(-c3ccsc3)s2)CC1.
What is the InChIKey of tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is PFUYCQITRJYRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-18(2,3)25-17(24)22-7-4-12(5-8-22)10-14(23)19-16-21-20-15(27-16)13-6-9-26-11-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,19,21,23).
What are the key properties of tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 408.55 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 56503201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).