5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one

C23H23F3N4O2S — CID 74080228

IUPAC5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
SMILESCOCc1nc(NCC(N)Cc2ccc(C(F)(F)F)cc2)sc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C23H23F3N4O2S/c1-32-12-19-21(14-4-7-18-15(9-14)10-20(31)29-18)33-22(30-19)28-11-17(27)8-13-2-5-16(6-3-13)23(24,25)26/h2-7,9,17H,8,10-12,27H2,1H3,(H,28,30)(H,29,31)
InChIKeyKFPXMNDLAVILED-UHFFFAOYSA-N
MW476.52 g/mol
LogP4.45
Rot. Bonds8

About 5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one

5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one (PubChem CID 74080228) has the molecular formula C23H23F3N4O2S and a molecular weight of 476.52 g/mol. Its IUPAC name is 5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
PubChem CID74080228
Molecular FormulaC23H23F3N4O2S
Molecular Weight476.52 g/mol
Exact Mass476.15
IUPAC Name5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
SMILESCOCc1nc(NCC(N)Cc2ccc(C(F)(F)F)cc2)sc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C23H23F3N4O2S/c1-32-12-19-21(14-4-7-18-15(9-14)10-20(31)29-18)33-22(30-19)28-11-17(27)8-13-2-5-16(6-3-13)23(24,25)26/h2-7,9,17H,8,10-12,27H2,1H3,(H,28,30)(H,29,31)
InChIKeyKFPXMNDLAVILED-UHFFFAOYSA-N
XLogP4.45
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 87647509
(2R)-1-N-[4-(methoxymethyl)-5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 87647320
5-[5-[[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1,2,4-thiadiazol-3-yl]-1,3-dihydroindol-2-one
CID 67062627
6-[2-[[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 87647766
5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571332
5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571251
[2-[[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-5-(1H-indazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 23653695
5-[5-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
CID 67089543
5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 87657484
5-[4-(3-hydroxybut-1-ynyl)-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 89344504
5-[2-[[2-amino-3-(3,4-difluorophenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571244
6-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-2H-phthalazin-1-one
CID 87647217

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one (CID 74080228) is 5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one is COCc1nc(NCC(N)Cc2ccc(C(F)(F)F)cc2)sc1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is KFPXMNDLAVILED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2S/c1-32-12-19-21(14-4-7-18-15(9-14)10-20(31)29-18)33-22(30-19)28-11-17(27)8-13-2-5-16(6-3-13)23(24,25)26/h2-7,9,17H,8,10-12,27H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 476.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 74080228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).