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

C20H20N4O2S — CID 76571332

IUPAC5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
SMILESNC(CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(O)cc1
InChIInChI=1S/C20H20N4O2S/c21-15(7-12-1-4-16(25)5-2-12)10-22-20-23-11-18(27-20)13-3-6-17-14(8-13)9-19(26)24-17/h1-6,8,11,15,25H,7,9-10,21H2,(H,22,23)(H,24,26)
InChIKeyXJPSPHPYVGGKAY-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.99
Rot. Bonds6

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

5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one (PubChem CID 76571332) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
PubChem CID76571332
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
SMILESNC(CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(O)cc1
InChIInChI=1S/C20H20N4O2S/c21-15(7-12-1-4-16(25)5-2-12)10-22-20-23-11-18(27-20)13-3-6-17-14(8-13)9-19(26)24-17/h1-6,8,11,15,25H,7,9-10,21H2,(H,22,23)(H,24,26)
InChIKeyXJPSPHPYVGGKAY-UHFFFAOYSA-N
XLogP2.99
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-[2-[[2-amino-3-(3,4-difluorophenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571244
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-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571251
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-[[2-amino-3-(4-chlorophenyl)propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
CID 67089543
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-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 74080228
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-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one
CID 68783610
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-[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-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one (CID 76571332) is 5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one is NC(CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(O)cc1.
What is the InChIKey of 5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is XJPSPHPYVGGKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c21-15(7-12-1-4-16(25)5-2-12)10-22-20-23-11-18(27-20)13-3-6-17-14(8-13)9-19(26)24-17/h1-6,8,11,15,25H,7,9-10,21H2,(H,22,23)(H,24,26).
What are the key properties of 5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 380.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 76571332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).