5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

C21H18F2N4O2S — CID 20971150

IUPAC5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1nnc(C2CCN(C(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C21H18F2N4O2S/c22-14-4-3-5-15(12-14)24-18(28)20-26-25-19(30-20)13-8-10-27(11-9-13)21(29)16-6-1-2-7-17(16)23/h1-7,12-13H,8-11H2,(H,24,28)
InChIKeyCQEUHXFBBWPDSW-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.09
Rot. Bonds4

About 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 20971150) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID20971150
Molecular FormulaC21H18F2N4O2S
Molecular Weight428.46 g/mol
Exact Mass428.11
IUPAC Name5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1nnc(C2CCN(C(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C21H18F2N4O2S/c22-14-4-3-5-15(12-14)24-18(28)20-26-25-19(30-20)13-8-10-27(11-9-13)21(29)16-6-1-2-7-17(16)23/h1-7,12-13H,8-11H2,(H,24,28)
InChIKeyCQEUHXFBBWPDSW-UHFFFAOYSA-N
XLogP4.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-5-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 20971159
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376400
5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50817188
5-[1-(2-fluorobenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50817168
N-(3-fluorophenyl)-5-[(2R)-1-[(2-fluorophenyl)carbamoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070595
N-(3-fluorophenyl)-5-[1-(4-methylbenzoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50817252
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088994
5-[1-[(3-methylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816367
5-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376550
5-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072161
N-(1,3-benzodioxol-5-yl)-5-[1-(2-fluorobenzoyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072314
5-[(3R)-1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088556

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 20971150) is 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1cccc(F)c1)c1nnc(C2CCN(C(=O)c3ccccc3F)CC2)s1.
What is the InChIKey of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CQEUHXFBBWPDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c22-14-4-3-5-15(12-14)24-18(28)20-26-25-19(30-20)13-8-10-27(11-9-13)21(29)16-6-1-2-7-17(16)23/h1-7,12-13H,8-11H2,(H,24,28).
What are the key properties of 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 20971150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).