4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one

C9H8ClF3N2OS — CID 168509600

IUPAC4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H8ClF3N2OS/c10-2-5-1-7(16)15(3-5)8-14-6(4-17-8)9(11,12)13/h4-5H,1-3H2
InChIKeyYLZWKZHQFBQFMO-UHFFFAOYSA-N
MW284.69 g/mol
LogP2.75
Rot. Bonds2

About 4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one

4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 168509600) has the molecular formula C9H8ClF3N2OS and a molecular weight of 284.69 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID168509600
Molecular FormulaC9H8ClF3N2OS
Molecular Weight284.69 g/mol
Exact Mass284.00
IUPAC Name4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H8ClF3N2OS/c10-2-5-1-7(16)15(3-5)8-14-6(4-17-8)9(11,12)13/h4-5H,1-3H2
InChIKeyYLZWKZHQFBQFMO-UHFFFAOYSA-N
XLogP2.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 168509600) is 4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is O=C1CC(CCl)CN1c1nc(C(F)(F)F)cs1.
What is the InChIKey of 4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is YLZWKZHQFBQFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2OS/c10-2-5-1-7(16)15(3-5)8-14-6(4-17-8)9(11,12)13/h4-5H,1-3H2.
What are the key properties of 4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 284.69 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168509600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).