ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate

C17H21FN4O2S — CID 133465975

IUPACethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C17H21FN4O2S/c1-2-24-17(23)22-9-7-14(8-10-22)19-16-21-20-15(25-16)11-12-3-5-13(18)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,19,21)
InChIKeyMAPPKWQOQZIMPZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.30
Rot. Bonds5

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

ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate (PubChem CID 133465975) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate
PubChem CID133465975
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Nameethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C17H21FN4O2S/c1-2-24-17(23)22-9-7-14(8-10-22)19-16-21-20-15(25-16)11-12-3-5-13(18)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,19,21)
InChIKeyMAPPKWQOQZIMPZ-UHFFFAOYSA-N
XLogP3.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133466368
tert-butyl N-[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]carbamate
CID 133458417
ethyl 4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate
CID 114448112
N-(1-benzylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133458287
ethyl 4-[[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111025544
1-[4-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 133456144
ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133458174
ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
CID 79768815
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133457740
ethyl 4-[[1-[(4-fluorophenyl)methyl]triazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 42403773
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate (CID 133465975) is ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nnc(Cc3ccc(F)cc3)s2)CC1.
What is the InChIKey of ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is MAPPKWQOQZIMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-2-24-17(23)22-9-7-14(8-10-22)19-16-21-20-15(25-16)11-12-3-5-13(18)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 133465975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).