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

C17H20ClFN4OS — CID 138608855

IUPAC4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCCc1nsc(NC(=O)N2CCC(Cc3ccc(Cl)cc3F)CC2)n1
InChIInChI=1S/C17H20ClFN4OS/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/h3-4,10-11H,2,5-9H2,1H3,(H,20,21,22,24)
InChIKeyIJFQGAGXZVZAON-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.38
Rot. Bonds4

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

4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 138608855) has the molecular formula C17H20ClFN4OS and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID138608855
Molecular FormulaC17H20ClFN4OS
Molecular Weight382.89 g/mol
Exact Mass382.10
IUPAC Name4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCCc1nsc(NC(=O)N2CCC(Cc3ccc(Cl)cc3F)CC2)n1
InChIInChI=1S/C17H20ClFN4OS/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/h3-4,10-11H,2,5-9H2,1H3,(H,20,21,22,24)
InChIKeyIJFQGAGXZVZAON-UHFFFAOYSA-N
XLogP4.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloro-2-fluorophenyl)methyl]-N-[3-[methyl-(4-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide
CID 138608920
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 154662314
1-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090841
4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138630460
4-[[4-(dimethylamino)-2,6-difluorophenyl]methyl]-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 138608843
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
1-[(4-chloro-2-fluorophenyl)methyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 100689609
3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 114860029
4-acetyl-N-(4-chloro-2-ethylphenyl)-1,4-diazepane-1-carboxamide
CID 74240888
1-[(4-chloro-2-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 100689176

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 138608855) is 4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methyl]-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)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is IJFQGAGXZVZAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4OS/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/h3-4,10-11H,2,5-9H2,1H3,(H,20,21,22,24).
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 4.38, 4 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)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138608855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).