ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate

C11H15N3O3S — CID 43623389

IUPACethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C11H15N3O3S/c1-2-17-11(16)8-3-5-14(6-4-8)10(15)9-7-12-13-18-9/h7-8H,2-6H2,1H3
InChIKeyKBCRGYYTAOFDFI-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.95
Rot. Bonds3

About ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate

ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 43623389) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate
PubChem CID43623389
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Nameethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C11H15N3O3S/c1-2-17-11(16)8-3-5-14(6-4-8)10(15)9-7-12-13-18-9/h7-8H,2-6H2,1H3
InChIKeyKBCRGYYTAOFDFI-UHFFFAOYSA-N
XLogP0.95
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 4519203
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998
ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 51109948
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
CID 105380316
ethyl 1-[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]piperidine-4-carboxylate
CID 71836473

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate (CID 43623389) is ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cnns2)CC1.
What is the InChIKey of ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is KBCRGYYTAOFDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-17-11(16)8-3-5-14(6-4-8)10(15)9-7-12-13-18-9/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate?
ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43623389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).