N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide

C23H25N5O3S — CID 118453239

IUPACN-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2cccc3ccoc23)[nH]1
InChIInChI=1S/C23H25N5O3S/c1-24-20(29)9-4-2-3-8-17(28-23(30)19-13-25-14-32-19)22-26-12-18(27-22)16-7-5-6-15-10-11-31-21(15)16/h5-7,10-14,17H,2-4,8-9H2,1H3,(H,24,29)(H,26,27)(H,28,30)
InChIKeyPFVLEFXONBRFPO-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.45
Rot. Bonds10

About N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide

N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 118453239) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
PubChem CID118453239
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2cccc3ccoc23)[nH]1
InChIInChI=1S/C23H25N5O3S/c1-24-20(29)9-4-2-3-8-17(28-23(30)19-13-25-14-32-19)22-26-12-18(27-22)16-7-5-6-15-10-11-31-21(15)16/h5-7,10-14,17H,2-4,8-9H2,1H3,(H,24,29)(H,26,27)(H,28,30)
InChIKeyPFVLEFXONBRFPO-UHFFFAOYSA-N
XLogP4.45
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide 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

N-[7-(methylamino)-7-oxo-1-(5-quinolin-8-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
CID 118453105
N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 118458651
N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 118453227
N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
CID 118453292
N-[(1S)-7-(methylamino)-7-oxo-1-[5-[4-(1H-pyrazol-5-yl)phenyl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 74221664
N-[7-(methylamino)-1-[5-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 118453204
N-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide
CID 159001267
N-[2-[5-[4-(aminomethyl)phenyl]-1H-imidazol-2-yl]-8-(methylamino)-8-oxooctyl]-1,3-thiazole-5-carboxamide
CID 123508481
N-[(1S)-7-(2-chlorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164988102
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 118453290
N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 144617633
N-[(1S)-7-(2-fluoro-6-methoxyphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164973267

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (CID 118453239) is N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is CNC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2cccc3ccoc23)[nH]1.
What is the InChIKey of N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PFVLEFXONBRFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-24-20(29)9-4-2-3-8-17(28-23(30)19-13-25-14-32-19)22-26-12-18(27-22)16-7-5-6-15-10-11-31-21(15)16/h5-7,10-14,17H,2-4,8-9H2,1H3,(H,24,29)(H,26,27)(H,28,30).
What are the key properties of N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 4.45, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118453239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).