N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide

C24H28N6O2S — CID 118458651

IUPACN-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2cccc3c2N=CCC3)[nH]1
InChIInChI=1S/C24H28N6O2S/c1-25-21(31)11-4-2-3-10-18(30-24(32)20-14-26-15-33-20)23-28-13-19(29-23)17-9-5-7-16-8-6-12-27-22(16)17/h5,7,9,12-15,18H,2-4,6,8,10-11H2,1H3,(H,25,31)(H,28,29)(H,30,32)/t18-/m0/s1
InChIKeyTXNCSSIFQMSLPW-SFHVURJKSA-N
MW464.60 g/mol
LogP4.35
Rot. Bonds10

About N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide

N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 118458651) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
PubChem CID118458651
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC NameN-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2cccc3c2N=CCC3)[nH]1
InChIInChI=1S/C24H28N6O2S/c1-25-21(31)11-4-2-3-10-18(30-24(32)20-14-26-15-33-20)23-28-13-19(29-23)17-9-5-7-16-8-6-12-27-22(16)17/h5,7,9,12-15,18H,2-4,6,8,10-11H2,1H3,(H,25,31)(H,28,29)(H,30,32)/t18-/m0/s1
InChIKeyTXNCSSIFQMSLPW-SFHVURJKSA-N
XLogP4.35
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide with MolForge

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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-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 118453239
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)-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-(methylamino)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
CID 118453292
N-[2-[5-[4-(aminomethyl)phenyl]-1H-imidazol-2-yl]-8-(methylamino)-8-oxooctyl]-1,3-thiazole-5-carboxamide
CID 123508481
N-[(1S)-7-(2,3-dihydro-1H-inden-4-yl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164988106
N-[2-[5-(2,3-dihydro-1H-benzotriazol-5-yl)-1H-imidazol-2-yl]-8-(methylamino)-8-oxooctyl]-1,3-thiazole-5-carboxamide
CID 130373791
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-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide
CID 159001267
N-[2-[5-[3-amino-4-(2-methylhydrazinyl)phenyl]-1H-imidazol-2-yl]-8-(methylamino)-8-oxooctyl]-1,3-thiazole-5-carboxamide
CID 123951744

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide (CID 118458651) is N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2cccc3c2N=CCC3)[nH]1.
What is the InChIKey of N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is TXNCSSIFQMSLPW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-25-21(31)11-4-2-3-10-18(30-24(32)20-14-26-15-33-20)23-28-13-19(29-23)17-9-5-7-16-8-6-12-27-22(16)17/h5,7,9,12-15,18H,2-4,6,8,10-11H2,1H3,(H,25,31)(H,28,29)(H,30,32)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 464.60 g/mol, XLogP of 4.35, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(3,4-dihydroquinolin-8-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118458651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).