[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone

C19H19FN4O2S — CID 133466368

IUPAC[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(Nc2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-14-5-3-13(4-6-14)12-17-22-23-19(27-17)21-15-7-9-24(10-8-15)18(25)16-2-1-11-26-16/h1-6,11,15H,7-10,12H2,(H,21,23)
InChIKeyVLDIFHFXSKDQCY-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.58
Rot. Bonds5

About [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone

[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 133466368) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID133466368
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(Nc2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-14-5-3-13(4-6-14)12-17-22-23-19(27-17)21-15-7-9-24(10-8-15)18(25)16-2-1-11-26-16/h1-6,11,15H,7-10,12H2,(H,21,23)
InChIKeyVLDIFHFXSKDQCY-UHFFFAOYSA-N
XLogP3.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

ethyl 4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate
CID 133465975
[4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133468013
N-(1-benzylsulfonylpiperidin-4-yl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133458287
[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3928427
tert-butyl N-[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]carbamate
CID 133458417
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497508
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
1-(furan-2-carbonyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6463563
[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
CID 56814831
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799

Frequently Asked Questions

What is the IUPAC name of [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone (CID 133466368) is [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(Nc2nnc(Cc3ccc(F)cc3)s2)CC1.
What is the InChIKey of [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is VLDIFHFXSKDQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-14-5-3-13(4-6-14)12-17-22-23-19(27-17)21-15-7-9-24(10-8-15)18(25)16-2-1-11-26-16/h1-6,11,15H,7-10,12H2,(H,21,23).
What are the key properties of [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 386.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 133466368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).