N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide

C24H26N6O2S — CID 118453292

IUPACN-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C24H26N6O2S/c1-25-22(31)8-4-2-3-7-19(30-24(32)21-14-26-15-33-21)23-28-13-20(29-23)17-9-10-18-16(12-17)6-5-11-27-18/h5-6,9-15,19H,2-4,7-8H2,1H3,(H,25,31)(H,28,29)(H,30,32)
InChIKeyDWGHACXCIYAQMI-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.25
Rot. Bonds10

About N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide

N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide (PubChem CID 118453292) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
PubChem CID118453292
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC NameN-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C24H26N6O2S/c1-25-22(31)8-4-2-3-7-19(30-24(32)21-14-26-15-33-21)23-28-13-20(29-23)17-9-10-18-16(12-17)6-5-11-27-18/h5-6,9-15,19H,2-4,7-8H2,1H3,(H,25,31)(H,28,29)(H,30,32)
InChIKeyDWGHACXCIYAQMI-UHFFFAOYSA-N
XLogP4.25
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-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-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide
CID 159001267
N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 118453227
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)-7-oxo-1-(5-quinolin-8-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
CID 118453105
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-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 144617604
N-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 118453239
N-[(1S)-7-(2-chlorophenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164988102
N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 144617633
N-[8-(methylamino)-8-oxo-2-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]octyl]-1,3-thiazole-5-carboxamide
CID 123795094
N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 155169292
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-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide (CID 118453292) is N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide is CNC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2ccc3ncccc3c2)[nH]1.
What is the InChIKey of N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DWGHACXCIYAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-25-22(31)8-4-2-3-7-19(30-24(32)21-14-26-15-33-21)23-28-13-20(29-23)17-9-10-18-16(12-17)6-5-11-27-18/h5-6,9-15,19H,2-4,7-8H2,1H3,(H,25,31)(H,28,29)(H,30,32).
What are the key properties of N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide?
N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.25, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118453292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).