N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide

C12H18F2N4OS — CID 175648272

IUPACN-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide
SMILESCc1nsc(N2CCC(CC(=O)NCC(F)F)CC2)n1
InChIInChI=1S/C12H18F2N4OS/c1-8-16-12(20-17-8)18-4-2-9(3-5-18)6-11(19)15-7-10(13)14/h9-10H,2-7H2,1H3,(H,15,19)
InChIKeyAUXIUSPPEFHUQK-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.83
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide (PubChem CID 175648272) has the molecular formula C12H18F2N4OS and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide
PubChem CID175648272
Molecular FormulaC12H18F2N4OS
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC NameN-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide
SMILESCc1nsc(N2CCC(CC(=O)NCC(F)F)CC2)n1
InChIInChI=1S/C12H18F2N4OS/c1-8-16-12(20-17-8)18-4-2-9(3-5-18)6-11(19)15-7-10(13)14/h9-10H,2-7H2,1H3,(H,15,19)
InChIKeyAUXIUSPPEFHUQK-UHFFFAOYSA-N
XLogP1.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide (CID 175648272) is N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide is Cc1nsc(N2CCC(CC(=O)NCC(F)F)CC2)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide?
The InChIKey is AUXIUSPPEFHUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4OS/c1-8-16-12(20-17-8)18-4-2-9(3-5-18)6-11(19)15-7-10(13)14/h9-10H,2-7H2,1H3,(H,15,19).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide has a molecular weight of 304.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175648272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).