[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

C22H23N3O2S — CID 164621587

IUPAC[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESCOCCNCc1cnc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1
InChIInChI=1S/C22H23N3O2S/c1-27-13-11-23-14-17-15-24-21(28-17)22(26)25-12-10-19-18(8-5-9-20(19)25)16-6-3-2-4-7-16/h2-9,15,23H,10-14H2,1H3
InChIKeyVHOVVHGVRZWVJF-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.75
Rot. Bonds7

About [5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 164621587) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is [5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID164621587
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESCOCCNCc1cnc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1
InChIInChI=1S/C22H23N3O2S/c1-27-13-11-23-14-17-15-24-21(28-17)22(26)25-12-10-19-18(8-5-9-20(19)25)16-6-3-2-4-7-16/h2-9,15,23H,10-14H2,1H3
InChIKeyVHOVVHGVRZWVJF-UHFFFAOYSA-N
XLogP3.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 164621587) is [5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is COCCNCc1cnc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1.
What is the InChIKey of [5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is VHOVVHGVRZWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-27-13-11-23-14-17-15-24-21(28-17)22(26)25-12-10-19-18(8-5-9-20(19)25)16-6-3-2-4-7-16/h2-9,15,23H,10-14H2,1H3.
What are the key properties of [5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 393.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 164621587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).