4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C16H17Cl2FN4OS — CID 138630241

IUPAC4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(Cc3c(F)cc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C16H17Cl2FN4OS/c1-9-20-15(25-22-9)21-16(24)23-4-2-10(3-5-23)6-12-13(18)7-11(17)8-14(12)19/h7-8,10H,2-6H2,1H3,(H,20,21,22,24)
InChIKeyWXMNLDHQDADOLR-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.78
Rot. Bonds3

About 4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 138630241) has the molecular formula C16H17Cl2FN4OS and a molecular weight of 403.31 g/mol. Its IUPAC name is 4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID138630241
Molecular FormulaC16H17Cl2FN4OS
Molecular Weight403.31 g/mol
Exact Mass402.05
IUPAC Name4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(Cc3c(F)cc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C16H17Cl2FN4OS/c1-9-20-15(25-22-9)21-16(24)23-4-2-10(3-5-23)6-12-13(18)7-11(17)8-14(12)19/h7-8,10H,2-6H2,1H3,(H,20,21,22,24)
InChIKeyWXMNLDHQDADOLR-UHFFFAOYSA-N
XLogP4.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 3947463
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-[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
N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 138608804
(4E)-4-[(4-chloro-2-fluorophenyl)methylidene]-3,3-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608808
(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608809
(4E)-4-[(4-chloro-2-fluorophenyl)methylidene]-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608815
(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608816
4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608817

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 138630241) is 4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(Cc3c(F)cc(Cl)cc3Cl)CC2)n1.
What is the InChIKey of 4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is WXMNLDHQDADOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2FN4OS/c1-9-20-15(25-22-9)21-16(24)23-4-2-10(3-5-23)6-12-13(18)7-11(17)8-14(12)19/h7-8,10H,2-6H2,1H3,(H,20,21,22,24).
What are the key properties of 4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 403.31 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichloro-6-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138630241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).