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

C16H25FN4OS — CID 165432077

IUPACN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(F)CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C16H25FN4OS/c1-15(2,3)13(22)18-10-16(17)6-8-21(9-7-16)14-19-12(20-23-14)11-4-5-11/h11H,4-10H2,1-3H3,(H,18,22)
InChIKeyWMFRCKLJYWZNFQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.89
Rot. Bonds4

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

N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 165432077) has the molecular formula C16H25FN4OS and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID165432077
Molecular FormulaC16H25FN4OS
Molecular Weight340.47 g/mol
Exact Mass340.17
IUPAC NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(F)CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C16H25FN4OS/c1-15(2,3)13(22)18-10-16(17)6-8-21(9-7-16)14-19-12(20-23-14)11-4-5-11/h11H,4-10H2,1-3H3,(H,18,22)
InChIKeyWMFRCKLJYWZNFQ-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 75377037
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
2,2,2-Trifluoro-1-[4-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]piperidin-1-yl]ethanone
CID 133485949
1-[4-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133494380
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133508427
[1-(1,1-Difluoroethyl)cyclopropyl]-[3,5-dimethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]methanone
CID 154855737
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(4,4-difluoropiperidine-1-carbonyl)piperidine
CID 155975920
N-{[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}acetamide
CID 165431829

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 165432077) is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1(F)CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is WMFRCKLJYWZNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4OS/c1-15(2,3)13(22)18-10-16(17)6-8-21(9-7-16)14-19-12(20-23-14)11-4-5-11/h11H,4-10H2,1-3H3,(H,18,22).
What are the key properties of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 340.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165432077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).