ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate

C15H17N3O3S2 — CID 100752330

IUPACethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2snnc2-c2cccs2)CC1
InChIInChI=1S/C15H17N3O3S2/c1-2-21-15(20)10-5-7-18(8-6-10)14(19)13-12(16-17-23-13)11-4-3-9-22-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyDZXIOCQXMFYLME-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.68
Rot. Bonds4

About ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate

ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 100752330) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate
PubChem CID100752330
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Nameethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2snnc2-c2cccs2)CC1
InChIInChI=1S/C15H17N3O3S2/c1-2-21-15(20)10-5-7-18(8-6-10)14(19)13-12(16-17-23-13)11-4-3-9-22-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyDZXIOCQXMFYLME-UHFFFAOYSA-N
XLogP2.68
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 4519203
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
ethyl 1-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)piperidine-4-carboxylate
CID 42762142
ethyl 1-[2-(thiophen-2-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 91950433
ethyl 1-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylate
CID 3313271
ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 43623389
ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate
CID 20906343
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 39080805
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
CID 42435336
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate (CID 100752330) is ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2snnc2-c2cccs2)CC1.
What is the InChIKey of ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is DZXIOCQXMFYLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-2-21-15(20)10-5-7-18(8-6-10)14(19)13-12(16-17-23-13)11-4-3-9-22-11/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 100752330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).