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

C19H17N3OS — CID 9343382

IUPAC5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESC[C@@H](Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1)c1ccccc1
InChIInChI=1S/C19H17N3OS/c1-12(13-5-3-2-4-6-13)20-19-22-17(11-24-19)14-7-8-16-15(9-14)10-18(23)21-16/h2-9,11-12H,10H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyQVGICOGWLCEEDM-GFCCVEGCSA-N
MW335.43 g/mol
LogP4.48
Rot. Bonds4

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

5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 9343382) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID9343382
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESC[C@@H](Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1)c1ccccc1
InChIInChI=1S/C19H17N3OS/c1-12(13-5-3-2-4-6-13)20-19-22-17(11-24-19)14-7-8-16-15(9-14)10-18(23)21-16/h2-9,11-12H,10H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyQVGICOGWLCEEDM-GFCCVEGCSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-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

6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 42914895
5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 29109545
5-[2-(butylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343622
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-sulfonamide
CID 9055823
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797869
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (CID 9343382) is 5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is C[C@@H](Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1)c1ccccc1.
What is the InChIKey of 5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is QVGICOGWLCEEDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12(13-5-3-2-4-6-13)20-19-22-17(11-24-19)14-7-8-16-15(9-14)10-18(23)21-16/h2-9,11-12H,10H2,1H3,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of 5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 335.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 9343382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).