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

C13H19FN4OS — CID 175648179

IUPACN-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1nsc(N2CCC(F)(CNC(=O)C3CC3)CC2)n1
InChIInChI=1S/C13H19FN4OS/c1-9-16-12(20-17-9)18-6-4-13(14,5-7-18)8-15-11(19)10-2-3-10/h10H,2-8H2,1H3,(H,15,19)
InChIKeyBJTLYIFCZLCCGD-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.68
Rot. Bonds4

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

N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 175648179) has the molecular formula C13H19FN4OS and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID175648179
Molecular FormulaC13H19FN4OS
Molecular Weight298.39 g/mol
Exact Mass298.13
IUPAC NameN-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1nsc(N2CCC(F)(CNC(=O)C3CC3)CC2)n1
InChIInChI=1S/C13H19FN4OS/c1-9-16-12(20-17-9)18-6-4-13(14,5-7-18)8-15-11(19)10-2-3-10/h10H,2-8H2,1H3,(H,15,19)
InChIKeyBJTLYIFCZLCCGD-UHFFFAOYSA-N
XLogP1.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide 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 N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide (CID 175648179) is N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide is Cc1nsc(N2CCC(F)(CNC(=O)C3CC3)CC2)n1.
What is the InChIKey of N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is BJTLYIFCZLCCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4OS/c1-9-16-12(20-17-9)18-6-4-13(14,5-7-18)8-15-11(19)10-2-3-10/h10H,2-8H2,1H3,(H,15,19).
What are the key properties of N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 175648179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).