N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide

C18H23FN4OS2 — CID 17152848

IUPACN-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCCC(C)Sc1nnc(NC(=O)C2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C18H23FN4OS2/c1-3-12(2)25-18-22-21-17(26-18)20-16(24)13-8-10-23(11-9-13)15-7-5-4-6-14(15)19/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,21,24)
InChIKeyVKOILKQIEIHTCR-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.42
Rot. Bonds6

About N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide

N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 17152848) has the molecular formula C18H23FN4OS2 and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID17152848
Molecular FormulaC18H23FN4OS2
Molecular Weight394.54 g/mol
Exact Mass394.13
IUPAC NameN-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCCC(C)Sc1nnc(NC(=O)C2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C18H23FN4OS2/c1-3-12(2)25-18-22-21-17(26-18)20-16(24)13-8-10-23(11-9-13)15-7-5-4-6-14(15)19/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,21,24)
InChIKeyVKOILKQIEIHTCR-UHFFFAOYSA-N
XLogP4.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-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

N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
CID 17152534
1-benzoyl-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018993
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 5181575
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152774
N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152752
1-(2-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17152768
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
1-[(2-fluorophenyl)methyl]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 100586770
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857992
1-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17152720
1-(2-nitrophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16959460

Frequently Asked Questions

What is the IUPAC name of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide (CID 17152848) is N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide is CCC(C)Sc1nnc(NC(=O)C2CCN(c3ccccc3F)CC2)s1.
What is the InChIKey of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is VKOILKQIEIHTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4OS2/c1-3-12(2)25-18-22-21-17(26-18)20-16(24)13-8-10-23(11-9-13)15-7-5-4-6-14(15)19/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,21,24).
What are the key properties of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).