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

C18H21FN4OS — CID 3542472

IUPACN-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1
InChIInChI=1S/C18H21FN4OS/c19-14-5-3-12(4-6-14)10-16-21-18(25-22-16)23-9-1-2-13(11-23)17(24)20-15-7-8-15/h3-6,13,15H,1-2,7-11H2,(H,20,24)
InChIKeyXFBMEOZTGRZPFP-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.76
Rot. Bonds5

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

N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide (PubChem CID 3542472) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
PubChem CID3542472
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1
InChIInChI=1S/C18H21FN4OS/c19-14-5-3-12(4-6-14)10-16-21-18(25-22-16)23-9-1-2-13(11-23)17(24)20-15-7-8-15/h3-6,13,15H,1-2,7-11H2,(H,20,24)
InChIKeyXFBMEOZTGRZPFP-UHFFFAOYSA-N
XLogP2.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-fluorophenyl)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 7288052
(3S)-N-(4-fluorophenyl)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 7288049
(3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7283455
(3R)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7283452
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 4638004
N-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 3873283
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-hexylpiperidine-3-carboxamide
CID 5131032
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide
CID 42775904
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 3975297
1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid
CID 5236137
N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 3993757
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 5243333

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide (CID 3542472) is N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1.
What is the InChIKey of N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is XFBMEOZTGRZPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c19-14-5-3-12(4-6-14)10-16-21-18(25-22-16)23-9-1-2-13(11-23)17(24)20-15-7-8-15/h3-6,13,15H,1-2,7-11H2,(H,20,24).
What are the key properties of N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 3542472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).