[1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

C16H25F2N5OS — CID 136539818

IUPAC[1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1nsc(N2CCN(C(=O)C3CCN(CC(F)F)CC3)CC2)n1
InChIInChI=1S/C16H25F2N5OS/c1-2-14-19-16(25-20-14)23-9-7-22(8-10-23)15(24)12-3-5-21(6-4-12)11-13(17)18/h12-13H,2-11H2,1H3
InChIKeyIOAJNGOYIDXVQQ-UHFFFAOYSA-N
MW373.47 g/mol
LogP1.73
Rot. Bonds5

About [1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

[1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 136539818) has the molecular formula C16H25F2N5OS and a molecular weight of 373.47 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID136539818
Molecular FormulaC16H25F2N5OS
Molecular Weight373.47 g/mol
Exact Mass373.17
IUPAC Name[1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1nsc(N2CCN(C(=O)C3CCN(CC(F)F)CC3)CC2)n1
InChIInChI=1S/C16H25F2N5OS/c1-2-14-19-16(25-20-14)23-9-7-22(8-10-23)15(24)12-3-5-21(6-4-12)11-13(17)18/h12-13H,2-11H2,1H3
InChIKeyIOAJNGOYIDXVQQ-UHFFFAOYSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 95785303
(4,4-Difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 146145424
4-(4,4-Difluoropiperidine-1-carbonyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine
CID 155975828
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(4,4-difluoropiperidine-1-carbonyl)piperidine
CID 155975920
4-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155975982
4-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155976069
3-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(propan-2-yl)-1,2,4-thiadiazol-5-yl]piperidine
CID 163354710
3-(4,4-Difluoropiperidine-1-carbonyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine
CID 163357813
3-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 163357889
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(4,4-difluoropiperidine-1-carbonyl)piperidine
CID 163358153
4,4-Difluoro-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carbonyl]piperidine
CID 165434774
4,4-Difluoro-1-{1-[3-(propan-2-yl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carbonyl}piperidine
CID 165434975

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 136539818) is [1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is CCc1nsc(N2CCN(C(=O)C3CCN(CC(F)F)CC3)CC2)n1.
What is the InChIKey of [1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is IOAJNGOYIDXVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N5OS/c1-2-14-19-16(25-20-14)23-9-7-22(8-10-23)15(24)12-3-5-21(6-4-12)11-13(17)18/h12-13H,2-11H2,1H3.
What are the key properties of [1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
[1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 373.47 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 136539818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).