1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one

C15H19FN2OS — CID 166417518

IUPAC1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C15H19FN2OS/c1-10(16)15(19)18-7-5-11(6-8-18)9-14-17-12-3-2-4-13(12)20-14/h11H,1-9H2
InChIKeyMJWGKTKPUCZZMW-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.90
Rot. Bonds3

About 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one

1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one (PubChem CID 166417518) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one
PubChem CID166417518
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C15H19FN2OS/c1-10(16)15(19)18-7-5-11(6-8-18)9-14-17-12-3-2-4-13(12)20-14/h11H,1-9H2
InChIKeyMJWGKTKPUCZZMW-UHFFFAOYSA-N
XLogP2.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one 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

1-[(3S)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]ethanone
CID 164640351
1-[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899847
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943618
3-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126944038
1-[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidine-4-carbonyl]-4,4-difluoropiperidine
CID 155975952
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]prop-2-enamide
CID 166419835
1-(4-((5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl)piperazin-1-yl)ethanone
CID 44060292
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 44060293
1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-4-cyclopropanecarbonylpiperazine
CID 44060294
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 44060332
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 44060333
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 44060334

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one?
The IUPAC name of 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one (CID 166417518) is 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one.
What is the SMILES notation for 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one?
The canonical SMILES for 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one is C=C(F)C(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1.
What is the InChIKey of 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one?
The InChIKey is MJWGKTKPUCZZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-10(16)15(19)18-7-5-11(6-8-18)9-14-17-12-3-2-4-13(12)20-14/h11H,1-9H2.
What are the key properties of 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one?
1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one has a molecular weight of 294.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-1-yl]-2-fluoroprop-2-en-1-one is sourced from PubChem (CID 166417518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).