[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine

C12H15F3N2O2S — CID 79579759

IUPAC[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESCC1CN(c2ccc(CN)c(C(F)(F)F)c2)S(=O)(=O)C1
InChIInChI=1S/C12H15F3N2O2S/c1-8-6-17(20(18,19)7-8)10-3-2-9(5-16)11(4-10)12(13,14)15/h2-4,8H,5-7,16H2,1H3
InChIKeyJGKJWUBKTNKFJV-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.95
Rot. Bonds2

About [4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine

[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 79579759) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is [4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID79579759
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESCC1CN(c2ccc(CN)c(C(F)(F)F)c2)S(=O)(=O)C1
InChIInChI=1S/C12H15F3N2O2S/c1-8-6-17(20(18,19)7-8)10-3-2-9(5-16)11(4-10)12(13,14)15/h2-4,8H,5-7,16H2,1H3
InChIKeyJGKJWUBKTNKFJV-UHFFFAOYSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320822
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-4-hydroxypyrrolidin-2-one
CID 46912463
[4-(2-methyl-1,4-oxazepan-4-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62988072
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methanamine
CID 64570614
3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 46912465
2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227083
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62130684
4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline
CID 62105465
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 64782151
[5-(3,4-dimethoxypyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 103530766
[4-cyclopropylsulfonyl-2-(trifluoromethyl)phenyl]methanamine
CID 46912460
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64781324

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine (CID 79579759) is [4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine is CC1CN(c2ccc(CN)c(C(F)(F)F)c2)S(=O)(=O)C1.
What is the InChIKey of [4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JGKJWUBKTNKFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-8-6-17(20(18,19)7-8)10-3-2-9(5-16)11(4-10)12(13,14)15/h2-4,8H,5-7,16H2,1H3.
What are the key properties of [4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine?
[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 308.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 79579759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).