3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one

C9H10F3N3OS — CID 22909972

IUPAC3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCNC1CCN(c2ncc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C9H10F3N3OS/c1-13-5-2-3-15(7(5)16)8-14-4-6(17-8)9(10,11)12/h4-5,13H,2-3H2,1H3
InChIKeyOEXSOQHPHVUSHS-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.49
Rot. Bonds2

About 3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one

3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 22909972) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID22909972
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCNC1CCN(c2ncc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C9H10F3N3OS/c1-13-5-2-3-15(7(5)16)8-14-4-6(17-8)9(10,11)12/h4-5,13H,2-3H2,1H3
InChIKeyOEXSOQHPHVUSHS-UHFFFAOYSA-N
XLogP1.49
TPSA45.23 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]propanamide
CID 1208101
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 52897212
2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 132469550
N-(cyclopropylmethyl)-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetamide
CID 136535644
1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 137992338
(4S)-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoimidazolidine-4-carboxamide
CID 164629686
(4S)-1-propyl-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methylamino]pyrrolidin-2-one
CID 164637909
(2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 164639916
3-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 44219010
1-Cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea
CID 57883537
1-Methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
CID 121320449

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 22909972) is 3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is CNC1CCN(c2ncc(C(F)(F)F)s2)C1=O.
What is the InChIKey of 3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is OEXSOQHPHVUSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c1-13-5-2-3-15(7(5)16)8-14-4-6(17-8)9(10,11)12/h4-5,13H,2-3H2,1H3.
What are the key properties of 3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one?
3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 265.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 22909972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).