2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione

C19H11F3N2O2S — CID 1124881

IUPAC2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H11F3N2O2S/c20-19(21,22)12-5-3-4-11(8-12)9-13-10-23-18(27-13)24-16(25)14-6-1-2-7-15(14)17(24)26/h1-8,10H,9H2
InChIKeyTWAJFHKCYFCBDJ-UHFFFAOYSA-N
MW388.37 g/mol
LogP4.55
Rot. Bonds3

About 2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione

2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione (PubChem CID 1124881) has the molecular formula C19H11F3N2O2S and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
PubChem CID1124881
Molecular FormulaC19H11F3N2O2S
Molecular Weight388.37 g/mol
Exact Mass388.05
IUPAC Name2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H11F3N2O2S/c20-19(21,22)12-5-3-4-11(8-12)9-13-10-23-18(27-13)24-16(25)14-6-1-2-7-15(14)17(24)26/h1-8,10H,9H2
InChIKeyTWAJFHKCYFCBDJ-UHFFFAOYSA-N
XLogP4.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
3-ethyl-1-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 46970156
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 37038090
(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 51595150
2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 24586323
potassium (2Z)-2-(2,4-dioxo-1,3-thiazolidin-3-id-5-ylidene)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 23694717
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 24573134
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
2-pyridin-2-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
CID 178069330
2-(4-phenylmethoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836254

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione (CID 1124881) is 2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
The InChIKey is TWAJFHKCYFCBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O2S/c20-19(21,22)12-5-3-4-11(8-12)9-13-10-23-18(27-13)24-16(25)14-6-1-2-7-15(14)17(24)26/h1-8,10H,9H2.
What are the key properties of 2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione?
2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione has a molecular weight of 388.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 1124881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).