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

C21H19F3N4O2S — CID 87657484

IUPAC5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
SMILESN[C@@H](CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)c(O)c1
InChIInChI=1S/C21H19F3N4O2S/c22-21(23,24)15-3-1-11(6-17(15)29)5-14(25)9-26-20-27-10-18(31-20)12-2-4-16-13(7-12)8-19(30)28-16/h1-4,6-7,10,14,29H,5,8-9,25H2,(H,26,27)(H,28,30)/t14-/m1/s1
InChIKeyRVKPTOMLCYCKGK-CQSZACIVSA-N
MW448.47 g/mol
LogP4.01
Rot. Bonds6

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

5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one (PubChem CID 87657484) has the molecular formula C21H19F3N4O2S and a molecular weight of 448.47 g/mol. Its IUPAC name is 5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
PubChem CID87657484
Molecular FormulaC21H19F3N4O2S
Molecular Weight448.47 g/mol
Exact Mass448.12
IUPAC Name5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
SMILESN[C@@H](CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)c(O)c1
InChIInChI=1S/C21H19F3N4O2S/c22-21(23,24)15-3-1-11(6-17(15)29)5-14(25)9-26-20-27-10-18(31-20)12-2-4-16-13(7-12)8-19(30)28-16/h1-4,6-7,10,14,29H,5,8-9,25H2,(H,26,27)(H,28,30)/t14-/m1/s1
InChIKeyRVKPTOMLCYCKGK-CQSZACIVSA-N
XLogP4.01
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-[2-[[2-amino-3-(3,4-difluorophenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571244
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-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 23654593
5-[5-[[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1,2,4-thiadiazol-3-yl]-1,3-dihydroindol-2-one
CID 67062627
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-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 87647509
5-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 74080228
6-[2-[[(2S)-2-amino-3-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propyl]amino]-1,3-thiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 89344319
6-[2-[[2-amino-3-[3-methoxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 76571183
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-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 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) is 5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one is N[C@@H](CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)c(O)c1.
What is the InChIKey of 5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is RVKPTOMLCYCKGK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19F3N4O2S/c22-21(23,24)15-3-1-11(6-17(15)29)5-14(25)9-26-20-27-10-18(31-20)12-2-4-16-13(7-12)8-19(30)28-16/h1-4,6-7,10,14,29H,5,8-9,25H2,(H,26,27)(H,28,30)/t14-/m1/s1.
What are the key properties of 5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 448.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(2R)-2-amino-3-[3-hydroxy-4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 87657484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).