ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate

C13H21N3O2S — CID 113331456

IUPACethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate
SMILESCCCc1nsc(N2CCCCC2C(=O)OCC)n1
InChIInChI=1S/C13H21N3O2S/c1-3-7-11-14-13(19-15-11)16-9-6-5-8-10(16)12(17)18-4-2/h10H,3-9H2,1-2H3
InChIKeyZTLCXSAYOKUCCO-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.41
Rot. Bonds5

About ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate

ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate (PubChem CID 113331456) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate
PubChem CID113331456
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate
SMILESCCCc1nsc(N2CCCCC2C(=O)OCC)n1
InChIInChI=1S/C13H21N3O2S/c1-3-7-11-14-13(19-15-11)16-9-6-5-8-10(16)12(17)18-4-2/h10H,3-9H2,1-2H3
InChIKeyZTLCXSAYOKUCCO-UHFFFAOYSA-N
XLogP2.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate (CID 113331456) is ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate is CCCc1nsc(N2CCCCC2C(=O)OCC)n1.
What is the InChIKey of ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate?
The InChIKey is ZTLCXSAYOKUCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-7-11-14-13(19-15-11)16-9-6-5-8-10(16)12(17)18-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate?
ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate is sourced from PubChem (CID 113331456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).