[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C23H20FN5OS — CID 71780375

IUPAC[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCCC(c2nnc(-c3ccccc3F)s2)C1
InChIInChI=1S/C23H20FN5OS/c24-18-11-5-4-10-17(18)22-28-27-21(31-22)16-9-6-12-29(14-16)23(30)20-13-19(25-26-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,25,26)
InChIKeySFPFRFLKNLOFOK-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.75
Rot. Bonds4

About [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 71780375) has the molecular formula C23H20FN5OS and a molecular weight of 433.51 g/mol. Its IUPAC name is [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID71780375
Molecular FormulaC23H20FN5OS
Molecular Weight433.51 g/mol
Exact Mass433.14
IUPAC Name[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCCC(c2nnc(-c3ccccc3F)s2)C1
InChIInChI=1S/C23H20FN5OS/c24-18-11-5-4-10-17(18)22-28-27-21(31-22)16-9-6-12-29(14-16)23(30)20-13-19(25-26-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,25,26)
InChIKeySFPFRFLKNLOFOK-UHFFFAOYSA-N
XLogP4.75
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 71780375) is [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCCC(c2nnc(-c3ccccc3F)s2)C1.
What is the InChIKey of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is SFPFRFLKNLOFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5OS/c24-18-11-5-4-10-17(18)22-28-27-21(31-22)16-9-6-12-29(14-16)23(30)20-13-19(25-26-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,25,26).
What are the key properties of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 433.51 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 71780375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).