4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one

C16H21FN4OS — CID 126899814

IUPAC4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C16H21FN4OS/c17-8-12-7-15(22)21(9-12)14-1-3-19(4-2-14)10-13-11-20-5-6-23-16(20)18-13/h5-6,11-12,14H,1-4,7-10H2
InChIKeyKELOLXRGOITORI-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.18
Rot. Bonds4

About 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899814) has the molecular formula C16H21FN4OS and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899814
Molecular FormulaC16H21FN4OS
Molecular Weight336.44 g/mol
Exact Mass336.14
IUPAC Name4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C16H21FN4OS/c17-8-12-7-15(22)21(9-12)14-1-3-19(4-2-14)10-13-11-20-5-6-23-16(20)18-13/h5-6,11-12,14H,1-4,7-10H2
InChIKeyKELOLXRGOITORI-UHFFFAOYSA-N
XLogP2.18
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one (CID 126899814) is 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(Cc2cn3ccsc3n2)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is KELOLXRGOITORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4OS/c17-8-12-7-15(22)21(9-12)14-1-3-19(4-2-14)10-13-11-20-5-6-23-16(20)18-13/h5-6,11-12,14H,1-4,7-10H2.
What are the key properties of 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 336.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).