ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate

C10H16N4O2S — CID 65270922

IUPACethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncns2)CC1
InChIInChI=1S/C10H16N4O2S/c1-2-16-10(15)14-5-3-8(4-6-14)13-9-11-7-12-17-9/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyAZMYGFPCMZMRER-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.57
Rot. Bonds3

About ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate

ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate (PubChem CID 65270922) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate
PubChem CID65270922
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Nameethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncns2)CC1
InChIInChI=1S/C10H16N4O2S/c1-2-16-10(15)14-5-3-8(4-6-14)13-9-11-7-12-17-9/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyAZMYGFPCMZMRER-UHFFFAOYSA-N
XLogP1.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate (CID 65270922) is ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ncns2)CC1.
What is the InChIKey of ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate?
The InChIKey is AZMYGFPCMZMRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-2-16-10(15)14-5-3-8(4-6-14)13-9-11-7-12-17-9/h7-8H,2-6H2,1H3,(H,11,12,13).
What are the key properties of ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate?
ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,2,4-thiadiazol-5-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 65270922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).