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

C24H25N3O2S — CID 164621739

IUPAC[5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ncc(CNC2CCOCC2)s1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C24H25N3O2S/c28-24(23-26-16-19(30-23)15-25-18-10-13-29-14-11-18)27-12-9-21-20(7-4-8-22(21)27)17-5-2-1-3-6-17/h1-8,16,18,25H,9-15H2
InChIKeyQLOGTXDYCPEGCF-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.28
Rot. Bonds5

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

[5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 164621739) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is [5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID164621739
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name[5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ncc(CNC2CCOCC2)s1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C24H25N3O2S/c28-24(23-26-16-19(30-23)15-25-18-10-13-29-14-11-18)27-12-9-21-20(7-4-8-22(21)27)17-5-2-1-3-6-17/h1-8,16,18,25H,9-15H2
InChIKeyQLOGTXDYCPEGCF-UHFFFAOYSA-N
XLogP4.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 164621739) is [5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is O=C(c1ncc(CNC2CCOCC2)s1)N1CCc2c(-c3ccccc3)cccc21.
What is the InChIKey of [5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is QLOGTXDYCPEGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-24(23-26-16-19(30-23)15-25-18-10-13-29-14-11-18)27-12-9-21-20(7-4-8-22(21)27)17-5-2-1-3-6-17/h1-8,16,18,25H,9-15H2.
What are the key properties of [5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
[5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 419.55 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 164621739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).