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

C19H19FN4O2S — CID 30864365

IUPACN-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-15-5-3-13(4-6-15)12-21-19(25)24-9-7-14(8-10-24)17-22-23-18(27-17)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2,(H,21,25)
InChIKeyKMRSESDIAWROFS-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.03
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 30864365) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
PubChem CID30864365
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-15-5-3-13(4-6-15)12-21-19(25)24-9-7-14(8-10-24)17-22-23-18(27-17)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2,(H,21,25)
InChIKeyKMRSESDIAWROFS-UHFFFAOYSA-N
XLogP4.03
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 30864174
(2,4-Difluorophenyl)(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864184
(3,4-Difluorophenyl)(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864187
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 30864192
N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 30864370
N-(4-fluorobenzyl)-4-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 44067512
1-{4-[5-(2-Furyl)-1,3,4-thiadiazol-2-yl]-1-piperidyl}-1-ethanone
CID 30864160
Cyclopropyl(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864163
(2-Chlorophenyl)(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864178
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(phenyl)methanone
CID 30864180
1-(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-2-phenoxyethanone
CID 30864190
N-(tert-butyl)-4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864363

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (CID 30864365) is N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is KMRSESDIAWROFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-15-5-3-13(4-6-15)12-21-19(25)24-9-7-14(8-10-24)17-22-23-18(27-17)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 30864365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).