3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one

C15H13F3N2OS — CID 132651110

IUPAC3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESCN1C(=O)CSC1c1ccn(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2OS/c1-19-13(21)9-22-14(19)10-5-6-20(8-10)12-4-2-3-11(7-12)15(16,17)18/h2-8,14H,9H2,1H3
InChIKeyHSGSCWMHMUPFPE-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.70
Rot. Bonds2

About 3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one

3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one (PubChem CID 132651110) has the molecular formula C15H13F3N2OS and a molecular weight of 326.34 g/mol. Its IUPAC name is 3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
PubChem CID132651110
Molecular FormulaC15H13F3N2OS
Molecular Weight326.34 g/mol
Exact Mass326.07
IUPAC Name3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
SMILESCN1C(=O)CSC1c1ccn(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2OS/c1-19-13(21)9-22-14(19)10-5-6-20(8-10)12-4-2-3-11(7-12)15(16,17)18/h2-8,14H,9H2,1H3
InChIKeyHSGSCWMHMUPFPE-UHFFFAOYSA-N
XLogP3.70
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964964
(2R)-2-[1-(4-methoxyphenyl)pyrrol-3-yl]-3-methyl-1,3-thiazolidin-4-one
CID 99964899
2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3865771
2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25071743
2-(3-phenoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 4220193
2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5233456
(2S)-2-[1-(3-ethoxyphenyl)pyrrol-3-yl]-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 99964440
3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25069515
(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
3-naphthalen-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5194516
(2S)-3-ethyl-2-[1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964984
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one (CID 132651110) is 3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one is CN1C(=O)CSC1c1ccn(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
The InChIKey is HSGSCWMHMUPFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2OS/c1-19-13(21)9-22-14(19)10-5-6-20(8-10)12-4-2-3-11(7-12)15(16,17)18/h2-8,14H,9H2,1H3.
What are the key properties of 3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one?
3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one has a molecular weight of 326.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 132651110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).