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

C16H17ClF2N4OS — CID 138608817

IUPAC4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(Cc3c(F)cc(Cl)cc3F)CC2)n1
InChIInChI=1S/C16H17ClF2N4OS/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)
InChIKeyJHSAPPFRTMALLF-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.26
Rot. Bonds3

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

4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 138608817) has the molecular formula C16H17ClF2N4OS and a molecular weight of 386.86 g/mol. Its IUPAC name is 4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID138608817
Molecular FormulaC16H17ClF2N4OS
Molecular Weight386.86 g/mol
Exact Mass386.08
IUPAC Name4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(Cc3c(F)cc(Cl)cc3F)CC2)n1
InChIInChI=1S/C16H17ClF2N4OS/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)
InChIKeyJHSAPPFRTMALLF-UHFFFAOYSA-N
XLogP4.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 138608817) is 4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(Cc3c(F)cc(Cl)cc3F)CC2)n1.
What is the InChIKey of 4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is JHSAPPFRTMALLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N4OS/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-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138608817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).