5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole

C13H11F3N2S — CID 145128379

IUPAC5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCN1Cc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1
InChIInChI=1S/C13H11F3N2S/c1-18-6-10-11(7-18)19-12(17-10)8-2-4-9(5-3-8)13(14,15)16/h2-5H,6-7H2,1H3
InChIKeyFNUOPJYXDLYXEQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.77
Rot. Bonds1

About 5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole

5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (PubChem CID 145128379) has the molecular formula C13H11F3N2S and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
PubChem CID145128379
Molecular FormulaC13H11F3N2S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCN1Cc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1
InChIInChI=1S/C13H11F3N2S/c1-18-6-10-11(7-18)19-12(17-10)8-2-4-9(5-3-8)13(14,15)16/h2-5H,6-7H2,1H3
InChIKeyFNUOPJYXDLYXEQ-UHFFFAOYSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one
CID 143301914
2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 95851662
N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 110244348
2-(4-fluoro-2-methylphenyl)-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
CID 145128275
[4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 59594676
7-oxo-2-[4-(trifluoromethyl)phenyl]-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5,6-dicarboxylic acid
CID 91250903
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 31245887
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
CID 67450720
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2-(4-fluorophenyl)-5,7,7-trimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine
CID 145128320
1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
CID 152502733

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (CID 145128379) is 5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is CN1Cc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The InChIKey is FNUOPJYXDLYXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2S/c1-18-6-10-11(7-18)19-12(17-10)8-2-4-9(5-3-8)13(14,15)16/h2-5H,6-7H2,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole has a molecular weight of 284.31 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 145128379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).