2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine

C21H22F3N3O3S — CID 70844125

IUPAC2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine
SMILESCCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C21H22F3N3O3S/c1-2-10-26-18-13-16(30-21(22,23)24)8-9-17(18)19(25)20(26)14-4-6-15(7-5-14)27-11-3-12-31(27,28)29/h4-9,13H,2-3,10-12,25H2,1H3
InChIKeyZFHWCUZCHFIOTM-UHFFFAOYSA-N
MW453.49 g/mol
LogP4.74
Rot. Bonds5

About 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine

2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine (PubChem CID 70844125) has the molecular formula C21H22F3N3O3S and a molecular weight of 453.49 g/mol. Its IUPAC name is 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine.

Molecular Properties

Compound Name2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine
PubChem CID70844125
Molecular FormulaC21H22F3N3O3S
Molecular Weight453.49 g/mol
Exact Mass453.13
IUPAC Name2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine
SMILESCCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C21H22F3N3O3S/c1-2-10-26-18-13-16(30-21(22,23)24)8-9-17(18)19(25)20(26)14-4-6-15(7-5-14)27-11-3-12-31(27,28)29/h4-9,13H,2-3,10-12,25H2,1H3
InChIKeyZFHWCUZCHFIOTM-UHFFFAOYSA-N
XLogP4.74
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine with MolForge

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Related Compounds

2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile
CID 59425342
N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844699
2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 70844442
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethenyl-6-methoxyindole-3-carbonitrile
CID 58694367
1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-morpholin-4-ylindol-3-amine
CID 70859441
1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
CID 70666782
1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine
CID 70844875
2-(4-hydrazinylphenyl)-1-pentyl-6-(4-pyrrolidin-1-ylbutoxy)indol-3-amine
CID 71176666
(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 134030266
4-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-propylindol-2-yl]aniline
CID 56624723
N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
CID 70844173
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile
CID 59425386

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine?
The IUPAC name of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine (CID 70844125) is 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine.
What is the SMILES notation for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine?
The canonical SMILES for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine is CCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(N)c2ccc(OC(F)(F)F)cc21.
What is the InChIKey of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine?
The InChIKey is ZFHWCUZCHFIOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3S/c1-2-10-26-18-13-16(30-21(22,23)24)8-9-17(18)19(25)20(26)14-4-6-15(7-5-14)27-11-3-12-31(27,28)29/h4-9,13H,2-3,10-12,25H2,1H3.
What are the key properties of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine?
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine has a molecular weight of 453.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indol-3-amine is sourced from PubChem (CID 70844125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).