[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate

C23H21N3O4S — CID 1458291

IUPAC[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)O[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)cs1)c1ccccc1
InChIInChI=1S/C23H21N3O4S/c1-14(27)26-11-10-18-12-17(8-9-20(18)26)19-13-31-23(24-19)25-22(29)21(30-15(2)28)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11H2,1-2H3,(H,24,25,29)/t21-/m0/s1
InChIKeyXOSSFVDNBVABOO-NRFANRHFSA-N
MW435.51 g/mol
LogP3.96
Rot. Bonds5

About [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate

[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate (PubChem CID 1458291) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
PubChem CID1458291
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)O[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)cs1)c1ccccc1
InChIInChI=1S/C23H21N3O4S/c1-14(27)26-11-10-18-12-17(8-9-20(18)26)19-13-31-23(24-19)25-22(29)21(30-15(2)28)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11H2,1-2H3,(H,24,25,29)/t21-/m0/s1
InChIKeyXOSSFVDNBVABOO-NRFANRHFSA-N
XLogP3.96
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate with MolForge

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Related Compounds

[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate
CID 3132918
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1458222
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 1438641
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 39073463
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 39073433
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 39073464
N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 1458331
N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 122589319
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 53347968
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 39073559
1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone
CID 141146332

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate (CID 1458291) is [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate is CC(=O)O[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)cs1)c1ccccc1.
What is the InChIKey of [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate?
The InChIKey is XOSSFVDNBVABOO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-14(27)26-11-10-18-12-17(8-9-20(18)26)19-13-31-23(24-19)25-22(29)21(30-15(2)28)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11H2,1-2H3,(H,24,25,29)/t21-/m0/s1.
What are the key properties of [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate?
[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate has a molecular weight of 435.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 1458291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).