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

C10H7F3N2OS — CID 168502961

IUPAC4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C10H7F3N2OS/c1-2-6-3-8(16)15(4-6)9-14-7(5-17-9)10(11,12)13/h1,5-6H,3-4H2
InChIKeyMNSBNSPDGQMCHD-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.15
Rot. Bonds1

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

4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 168502961) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID168502961
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C10H7F3N2OS/c1-2-6-3-8(16)15(4-6)9-14-7(5-17-9)10(11,12)13/h1,5-6H,3-4H2
InChIKeyMNSBNSPDGQMCHD-UHFFFAOYSA-N
XLogP2.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-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-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 168502961) is 4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is C#CC1CC(=O)N(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is MNSBNSPDGQMCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c1-2-6-3-8(16)15(4-6)9-14-7(5-17-9)10(11,12)13/h1,5-6H,3-4H2.
What are the key properties of 4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 260.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168502961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).