N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

C18H17FN4O2S — CID 30864370

IUPACN-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H17FN4O2S/c19-13-3-5-14(6-4-13)20-18(24)23-9-7-12(8-10-23)16-21-22-17(26-16)15-2-1-11-25-15/h1-6,11-12H,7-10H2,(H,20,24)
InChIKeyGXVUDRDYLWGBFF-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.35
Rot. Bonds3

About N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 30864370) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
PubChem CID30864370
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H17FN4O2S/c19-13-3-5-14(6-4-13)20-18(24)23-9-7-12(8-10-23)16-21-22-17(26-16)15-2-1-11-25-15/h1-6,11-12H,7-10H2,(H,20,24)
InChIKeyGXVUDRDYLWGBFF-UHFFFAOYSA-N
XLogP4.35
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 3150913
1-[(5-ethyl-2-furyl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-4-piperidinecarboxamide
CID 24817026
N-(4-fluorobenzyl)-4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864365
4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-phenylpiperidine-1-carboxamide
CID 44067519
1-(3,4-Difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 166962679
N-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-2-(4-phenyl-1-piperazinyl)acetamide
CID 2817090
N-(4-((4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)sulfonyl)phenyl)acetamide
CID 30864269
N-(tert-butyl)-4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864363
4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-N-phenethylpiperidine-1-carboxamide
CID 30864367
4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenethyl)piperidine-1-carboxamide
CID 30864372
4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 30864375
N-(benzo[d][1,3]dioxol-5-yl)-4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864378

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (CID 30864370) is N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is GXVUDRDYLWGBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-13-3-5-14(6-4-13)20-18(24)23-9-7-12(8-10-23)16-21-22-17(26-16)15-2-1-11-25-15/h1-6,11-12H,7-10H2,(H,20,24).
What are the key properties of N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 30864370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).