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

C17H18ClFN4OS — CID 138630038

IUPAC4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCCc1nsc(NC(=O)N2CCC(=Cc3ccc(Cl)cc3F)CC2)n1
InChIInChI=1S/C17H18ClFN4OS/c1-2-15-20-16(25-22-15)21-17(24)23-7-5-11(6-8-23)9-12-3-4-13(18)10-14(12)19/h3-4,9-10H,2,5-8H2,1H3,(H,20,21,22,24)
InChIKeyARJPUANJBCLKQM-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.60
Rot. Bonds3

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

4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 138630038) has the molecular formula C17H18ClFN4OS and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID138630038
Molecular FormulaC17H18ClFN4OS
Molecular Weight380.88 g/mol
Exact Mass380.09
IUPAC Name4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCCc1nsc(NC(=O)N2CCC(=Cc3ccc(Cl)cc3F)CC2)n1
InChIInChI=1S/C17H18ClFN4OS/c1-2-15-20-16(25-22-15)21-17(24)23-7-5-11(6-8-23)9-12-3-4-13(18)10-14(12)19/h3-4,9-10H,2,5-8H2,1H3,(H,20,21,22,24)
InChIKeyARJPUANJBCLKQM-UHFFFAOYSA-N
XLogP4.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 138630038) is 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is CCc1nsc(NC(=O)N2CCC(=Cc3ccc(Cl)cc3F)CC2)n1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ARJPUANJBCLKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4OS/c1-2-15-20-16(25-22-15)21-17(24)23-7-5-11(6-8-23)9-12-3-4-13(18)10-14(12)19/h3-4,9-10H,2,5-8H2,1H3,(H,20,21,22,24).
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methylidene]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138630038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).