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

C14H23FN4OS — CID 165431873

IUPACN-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCc1nsc(N2CCC(F)(CNC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C14H23FN4OS/c1-10-17-12(21-18-10)19-7-5-14(15,6-8-19)9-16-11(20)13(2,3)4/h5-9H2,1-4H3,(H,16,20)
InChIKeyIRMJOLIDSQHPFG-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.32
Rot. Bonds3

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

N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 165431873) has the molecular formula C14H23FN4OS and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID165431873
Molecular FormulaC14H23FN4OS
Molecular Weight314.43 g/mol
Exact Mass314.16
IUPAC NameN-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCc1nsc(N2CCC(F)(CNC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C14H23FN4OS/c1-10-17-12(21-18-10)19-7-5-14(15,6-8-19)9-16-11(20)13(2,3)4/h5-9H2,1-4H3,(H,16,20)
InChIKeyIRMJOLIDSQHPFG-UHFFFAOYSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.32
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]-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(pyrrolidin-1-ylcarbonyl)piperidine-1-carboxamide
CID 46996800
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 46994396
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
N-(3-Methyl-1,2,4-thiadiazol-5-YL)piperidine-4-carboxamide
CID 91636200
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409
4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990975
1-Piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
CID 107305117
2,2,2-Trifluoro-1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133429695
1-[4-[[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133429696
2,2,2-Trifluoro-1-[4-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133429704
1-[4-[[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133429708
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133484623

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]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 165431873) is N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is Cc1nsc(N2CCC(F)(CNC(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is IRMJOLIDSQHPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4OS/c1-10-17-12(21-18-10)19-7-5-14(15,6-8-19)9-16-11(20)13(2,3)4/h5-9H2,1-4H3,(H,16,20).
What are the key properties of N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 314.43 g/mol, XLogP of 2.32, 3 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 165431873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).