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

C8H6ClF3N2OS — CID 168689929

IUPAC4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H6ClF3N2OS/c9-4-1-6(15)14(2-4)7-13-5(3-16-7)8(10,11)12/h3-4H,1-2H2
InChIKeyVSWZXWMWUWMVIV-UHFFFAOYSA-N
MW270.66 g/mol
LogP2.51
Rot. Bonds1

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

4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 168689929) has the molecular formula C8H6ClF3N2OS and a molecular weight of 270.66 g/mol. Its IUPAC name is 4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID168689929
Molecular FormulaC8H6ClF3N2OS
Molecular Weight270.66 g/mol
Exact Mass269.98
IUPAC Name4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H6ClF3N2OS/c9-4-1-6(15)14(2-4)7-13-5(3-16-7)8(10,11)12/h3-4H,1-2H2
InChIKeyVSWZXWMWUWMVIV-UHFFFAOYSA-N
XLogP2.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.66
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methylthiazol-2-yl)pyrrolidin-2-one
CID 3015940
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
CID 2081014
1-[4-[4-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]butyl]pyrrolidin-2-one
CID 13747760
1-[3-[[4-(Trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one
CID 133381789
2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 167868473
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2,4-dione
CID 168495169
4-Bromo-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168498495
4-Ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168502961
4-(Bromomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168506280
4-(Chloromethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168509600
4-(Azidomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168658527
4-(Aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168661363

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 168689929) is 4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is O=C1CC(Cl)CN1c1nc(C(F)(F)F)cs1.
What is the InChIKey of 4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is VSWZXWMWUWMVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2OS/c9-4-1-6(15)14(2-4)7-13-5(3-16-7)8(10,11)12/h3-4H,1-2H2.
What are the key properties of 4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 270.66 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168689929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).