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

C16H22FN3OS — CID 126899895

IUPAC1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C16H22FN3OS/c17-9-11-8-15(21)20(10-11)12-4-6-19(7-5-12)16-18-13-2-1-3-14(13)22-16/h11-12H,1-10H2
InChIKeyWCTPSRFFCRTLMF-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.42
Rot. Bonds3

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

1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899895) has the molecular formula C16H22FN3OS and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899895
Molecular FormulaC16H22FN3OS
Molecular Weight323.44 g/mol
Exact Mass323.15
IUPAC Name1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C16H22FN3OS/c17-9-11-8-15(21)20(10-11)12-4-6-19(7-5-12)16-18-13-2-1-3-14(13)22-16/h11-12H,1-10H2
InChIKeyWCTPSRFFCRTLMF-UHFFFAOYSA-N
XLogP2.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butanoyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide
CID 75416081
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 45812152
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 75414994
(3R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 93612130
(3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 93612131
4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126899728
1-[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899847
4-(Fluoromethyl)-1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899896
3-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943703
[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677796
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 45812154
1-(cyclopropanecarbonyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide
CID 33039493

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899895) is 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is WCTPSRFFCRTLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3OS/c17-9-11-8-15(21)20(10-11)12-4-6-19(7-5-12)16-18-13-2-1-3-14(13)22-16/h11-12H,1-10H2.
What are the key properties of 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).