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

C11H14F3N3OS — CID 133381789

IUPAC1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)8-7-19-10(16-8)15-4-2-6-17-5-1-3-9(17)18/h7H,1-6H2,(H,15,16)
InChIKeyVRKPKXDJYMWWFT-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.59
Rot. Bonds5

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

1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 133381789) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one
PubChem CID133381789
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)8-7-19-10(16-8)15-4-2-6-17-5-1-3-9(17)18/h7H,1-6H2,(H,15,16)
InChIKeyVRKPKXDJYMWWFT-UHFFFAOYSA-N
XLogP2.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one (CID 133381789) is 1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is VRKPKXDJYMWWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c12-11(13,14)8-7-19-10(16-8)15-4-2-6-17-5-1-3-9(17)18/h7H,1-6H2,(H,15,16).
What are the key properties of 1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 293.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 133381789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).