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

C14H24N4O2S — CID 65270921

IUPACethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C14H24N4O2S/c1-5-20-13(19)18-8-6-10(7-9-18)15-12-16-11(17-21-12)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyBDGBMMGSPDEVKR-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.87
Rot. Bonds3

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

ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 65270921) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID65270921
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Nameethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C14H24N4O2S/c1-5-20-13(19)18-8-6-10(7-9-18)15-12-16-11(17-21-12)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyBDGBMMGSPDEVKR-UHFFFAOYSA-N
XLogP2.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (CID 65270921) is ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(C(C)(C)C)ns2)CC1.
What is the InChIKey of ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is BDGBMMGSPDEVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-20-13(19)18-8-6-10(7-9-18)15-12-16-11(17-21-12)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 65270921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).