N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide

C23H24N4O2S — CID 164628232

IUPACN-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ncc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1
InChIInChI=1S/C23H24N4O2S/c1-16(28)25-12-11-24-15-22-26-14-21(30-22)23(29)27-13-10-19-18(8-5-9-20(19)27)17-6-3-2-4-7-17/h2-9,14,24H,10-13,15H2,1H3,(H,25,28)
InChIKeyVIXDQQNVLWNXGE-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.24
Rot. Bonds7

About N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide

N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide (PubChem CID 164628232) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide
PubChem CID164628232
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ncc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1
InChIInChI=1S/C23H24N4O2S/c1-16(28)25-12-11-24-15-22-26-14-21(30-22)23(29)27-13-10-19-18(8-5-9-20(19)27)17-6-3-2-4-7-17/h2-9,14,24H,10-13,15H2,1H3,(H,25,28)
InChIKeyVIXDQQNVLWNXGE-UHFFFAOYSA-N
XLogP3.24
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(S)-N-(1-(biphenyl-3-ylamino)-1,8-dioxononan-2-yl)thiazole-5-carboxamide
CID 44418072
N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]acetamide
CID 164609187
2-[[2-(4-Phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethanesulfonamide
CID 164614851
N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide
CID 164625393
[2-[(2-Hydroxyethylamino)methyl]-1,3-thiazol-5-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 164608948
[5-[(2-Hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 164610067
[5-[(2-Methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 164621587
[5-[(Oxan-4-ylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 164621739
2-Amino-1-[(S)-2-(5-ethyl-thiazol-2-yl)-2,3-dihydro-indol-1-yl]-ethanone
CID 44359002
[5-[(2-Hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 164610329
US11613536, Example 2
CID 134282228
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17511862

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide (CID 164628232) is N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ncc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1.
What is the InChIKey of N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide?
The InChIKey is VIXDQQNVLWNXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16(28)25-12-11-24-15-22-26-14-21(30-22)23(29)27-13-10-19-18(8-5-9-20(19)27)17-6-3-2-4-7-17/h2-9,14,24H,10-13,15H2,1H3,(H,25,28).
What are the key properties of N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide?
N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide has a molecular weight of 420.54 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide is sourced from PubChem (CID 164628232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).