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

C17H18ClFN4OS — CID 138630389

IUPAC4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(=C1CCN(C(=O)Nc2nc(C)ns2)CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H18ClFN4OS/c1-10(14-4-3-13(18)9-15(14)19)12-5-7-23(8-6-12)17(24)21-16-20-11(2)22-25-16/h3-4,9H,5-8H2,1-2H3,(H,20,21,22,24)
InChIKeyZLUSDHSPZQXTCY-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.74
Rot. Bonds2

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

4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 138630389) has the molecular formula C17H18ClFN4OS and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID138630389
Molecular FormulaC17H18ClFN4OS
Molecular Weight380.88 g/mol
Exact Mass380.09
IUPAC Name4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(=C1CCN(C(=O)Nc2nc(C)ns2)CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H18ClFN4OS/c1-10(14-4-3-13(18)9-15(14)19)12-5-7-23(8-6-12)17(24)21-16-20-11(2)22-25-16/h3-4,9H,5-8H2,1-2H3,(H,20,21,22,24)
InChIKeyZLUSDHSPZQXTCY-UHFFFAOYSA-N
XLogP4.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975265
N-[1-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975023
N-[1-(4-chlorophenyl)ethyl]-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46993215
3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 3947463
2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990057
2-(3-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46999044
4-(2-fluorobenzyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46993797
4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46994450
N-[2-(4-chlorophenyl)ethyl]-N-ethyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 122587798
N-[3-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-5-yl]-4-[(4-chloro-2-fluorophenyl)methylidene]piperidine-1-carboxamide
CID 138608782
4-[(4-chloro-2-fluorophenyl)methylidene]-N-[3-(2-cyanoethyl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide
CID 138608784
(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608797

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 138630389) is 4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is CC(=C1CCN(C(=O)Nc2nc(C)ns2)CC1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZLUSDHSPZQXTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4OS/c1-10(14-4-3-13(18)9-15(14)19)12-5-7-23(8-6-12)17(24)21-16-20-11(2)22-25-16/h3-4,9H,5-8H2,1-2H3,(H,20,21,22,24).
What are the key properties of 4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chloro-2-fluorophenyl)ethylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138630389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).