4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one

C13H18FN3OS — CID 126899758

IUPAC4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nccs2)CC1
InChIInChI=1S/C13H18FN3OS/c14-8-10-7-12(18)17(9-10)11-1-4-16(5-2-11)13-15-3-6-19-13/h3,6,10-11H,1-2,4-5,7-9H2
InChIKeyVZSMTASHIZADGQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.93
Rot. Bonds3

About 4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899758) has the molecular formula C13H18FN3OS and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899758
Molecular FormulaC13H18FN3OS
Molecular Weight283.37 g/mol
Exact Mass283.12
IUPAC Name4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2nccs2)CC1
InChIInChI=1S/C13H18FN3OS/c14-8-10-7-12(18)17(9-10)11-1-4-16(5-2-11)13-15-3-6-19-13/h3,6,10-11H,1-2,4-5,7-9H2
InChIKeyVZSMTASHIZADGQ-UHFFFAOYSA-N
XLogP1.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899758) is 4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2nccs2)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is VZSMTASHIZADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3OS/c14-8-10-7-12(18)17(9-10)11-1-4-16(5-2-11)13-15-3-6-19-13/h3,6,10-11H,1-2,4-5,7-9H2.
What are the key properties of 4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 283.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).