5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one

C22H21N5OS — CID 23654593

IUPAC5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
SMILESN[C@H](CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H21N5OS/c23-16(8-15-10-24-19-4-2-1-3-17(15)19)11-25-22-26-12-20(29-22)13-5-6-18-14(7-13)9-21(28)27-18/h1-7,10,12,16,24H,8-9,11,23H2,(H,25,26)(H,27,28)/t16-/m0/s1
InChIKeyGTLIIZSSDYQHLI-INIZCTEOSA-N
MW403.51 g/mol
LogP3.77
Rot. Bonds6

About 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one

5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one (PubChem CID 23654593) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
PubChem CID23654593
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
SMILESN[C@H](CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H21N5OS/c23-16(8-15-10-24-19-4-2-1-3-17(15)19)11-25-22-26-12-20(29-22)13-5-6-18-14(7-13)9-21(28)27-18/h1-7,10,12,16,24H,8-9,11,23H2,(H,25,26)(H,27,28)/t16-/m0/s1
InChIKeyGTLIIZSSDYQHLI-INIZCTEOSA-N
XLogP3.77
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[(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-(3,4-difluorophenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571244
(2R)-3-(1H-indol-3-yl)-1-N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 87648295
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydroindol-2-one
CID 10237631
5-[5-amino-6-[(2-amino-3-phenylpropyl)amino]pyrazin-2-yl]-1,3-dihydroindol-2-one
CID 68783610
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 23647541
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113086391
(2S)-1-N-[5-(3-methyl-1H-indol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 154292098
4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid
CID 22607536
3-(1H-indol-3-yl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine
CID 67062617
(2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine
CID 23646974

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one (CID 23654593) is 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one is N[C@H](CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is GTLIIZSSDYQHLI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21N5OS/c23-16(8-15-10-24-19-4-2-1-3-17(15)19)11-25-22-26-12-20(29-22)13-5-6-18-14(7-13)9-21(28)27-18/h1-7,10,12,16,24H,8-9,11,23H2,(H,25,26)(H,27,28)/t16-/m0/s1.
What are the key properties of 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one?
5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 403.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 23654593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).