(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

C13H19F2N5OS — CID 146145424

IUPAC(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C13H19F2N5OS/c1-10-16-11(22-17-10)18-6-8-20(9-7-18)12(21)19-4-2-13(14,15)3-5-19/h2-9H2,1H3
InChIKeyIKJHYFPMMLJOGS-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.82
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 146145424) has the molecular formula C13H19F2N5OS and a molecular weight of 331.39 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID146145424
Molecular FormulaC13H19F2N5OS
Molecular Weight331.39 g/mol
Exact Mass331.13
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C13H19F2N5OS/c1-10-16-11(22-17-10)18-6-8-20(9-7-18)12(21)19-4-2-13(14,15)3-5-19/h2-9H2,1H3
InChIKeyIKJHYFPMMLJOGS-UHFFFAOYSA-N
XLogP1.82
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 146145424) is (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is Cc1nsc(N2CCN(C(=O)N3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is IKJHYFPMMLJOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5OS/c1-10-16-11(22-17-10)18-6-8-20(9-7-18)12(21)19-4-2-13(14,15)3-5-19/h2-9H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 331.39 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 146145424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).