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

C9H10F3N3OS — CID 168661363

IUPAC4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)6-4-17-8(14-6)15-3-5(2-13)1-7(15)16/h4-5H,1-3,13H2
InChIKeyFKCQMSOTEOSHKQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.47
Rot. Bonds2

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

4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 168661363) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID168661363
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)6-4-17-8(14-6)15-3-5(2-13)1-7(15)16/h4-5H,1-3,13H2
InChIKeyFKCQMSOTEOSHKQ-UHFFFAOYSA-N
XLogP1.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 168661363) is 4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is NCC1CC(=O)N(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is FKCQMSOTEOSHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)6-4-17-8(14-6)15-3-5(2-13)1-7(15)16/h4-5H,1-3,13H2.
What are the key properties of 4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 265.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168661363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).