[3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

C14H14F2N4OS — CID 24790175

IUPAC[3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H14F2N4OS/c15-11-4-3-9(6-12(11)16)18-10-2-1-5-20(8-10)14(21)13-7-17-22-19-13/h3-4,6-7,10,18H,1-2,5,8H2
InChIKeyFAPOGFMHMSPJSE-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.53
Rot. Bonds3

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

[3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 24790175) has the molecular formula C14H14F2N4OS and a molecular weight of 324.36 g/mol. Its IUPAC name is [3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID24790175
Molecular FormulaC14H14F2N4OS
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Name[3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H14F2N4OS/c15-11-4-3-9(6-12(11)16)18-10-2-1-5-20(8-10)14(21)13-7-17-22-19-13/h3-4,6-7,10,18H,1-2,5,8H2
InChIKeyFAPOGFMHMSPJSE-UHFFFAOYSA-N
XLogP2.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 24790175) is [3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCCC(Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of [3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is FAPOGFMHMSPJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4OS/c15-11-4-3-9(6-12(11)16)18-10-2-1-5-20(8-10)14(21)13-7-17-22-19-13/h3-4,6-7,10,18H,1-2,5,8H2.
What are the key properties of [3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 324.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluoroanilino)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 24790175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).