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

C11H17N3O2S — CID 65208891

IUPACethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nnc(C)s2)C1
InChIInChI=1S/C11H17N3O2S/c1-3-16-10(15)9-5-4-6-14(7-9)11-13-12-8(2)17-11/h9H,3-7H2,1-2H3
InChIKeyJJRRXNRCDWIYBA-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.63
Rot. Bonds3

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

ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate (PubChem CID 65208891) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
PubChem CID65208891
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Nameethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nnc(C)s2)C1
InChIInChI=1S/C11H17N3O2S/c1-3-16-10(15)9-5-4-6-14(7-9)11-13-12-8(2)17-11/h9H,3-7H2,1-2H3
InChIKeyJJRRXNRCDWIYBA-UHFFFAOYSA-N
XLogP1.63
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426
ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 65168577
methyl 4-amino-2-(3-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 110277637
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
ethyl 1-(4-chloro-5-formyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 53273642
ethyl 1-[1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carbonyl]piperidine-4-carboxylate
CID 20958117
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335296
ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 67454156
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 51904879
ethyl 4-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 46281699

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate (CID 65208891) is ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2nnc(C)s2)C1.
What is the InChIKey of ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate?
The InChIKey is JJRRXNRCDWIYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-16-10(15)9-5-4-6-14(7-9)11-13-12-8(2)17-11/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate?
ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate has a molecular weight of 255.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 65208891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).