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

C24H26N6O3S — CID 144617633

IUPACN-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc2ccc(-c3cnc(C(CCCCCC(N)=O)NC(=O)c4cncs4)[nH]3)cc2cn1
InChIInChI=1S/C24H26N6O3S/c1-33-22-10-15-7-8-16(9-17(15)11-27-22)19-12-28-23(29-19)18(5-3-2-4-6-21(25)31)30-24(32)20-13-26-14-34-20/h7-14,18H,2-6H2,1H3,(H2,25,31)(H,28,29)(H,30,32)
InChIKeyUIJXABZMGXTOEP-UHFFFAOYSA-N
MW478.58 g/mol
LogP4.00
Rot. Bonds11

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

N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 144617633) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
PubChem CID144617633
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC NameN-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc2ccc(-c3cnc(C(CCCCCC(N)=O)NC(=O)c4cncs4)[nH]3)cc2cn1
InChIInChI=1S/C24H26N6O3S/c1-33-22-10-15-7-8-16(9-17(15)11-27-22)19-12-28-23(29-19)18(5-3-2-4-6-21(25)31)30-24(32)20-13-26-14-34-20/h7-14,18H,2-6H2,1H3,(H2,25,31)(H,28,29)(H,30,32)
InChIKeyUIJXABZMGXTOEP-UHFFFAOYSA-N
XLogP4.00
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[(1S)-7-(2-fluoro-6-methoxyphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164973267
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)-5-[(2-hydroxy-5-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 162667559
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-quinolin-6-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
CID 118453292
N-[(1S)-7-(2-amino-5-fluoro-3-methylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164995957
N-[(1S)-7-(5-fluoro-2-sulfanylphenyl)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 164973265
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-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 155169292
N-[2-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]-8-(methylamino)-8-oxooctyl]-1,3-thiazole-5-carboxamide
CID 123299959

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide (CID 144617633) is N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide is COc1cc2ccc(-c3cnc(C(CCCCCC(N)=O)NC(=O)c4cncs4)[nH]3)cc2cn1.
What is the InChIKey of N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UIJXABZMGXTOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-33-22-10-15-7-8-16(9-17(15)11-27-22)19-12-28-23(29-19)18(5-3-2-4-6-21(25)31)30-24(32)20-13-26-14-34-20/h7-14,18H,2-6H2,1H3,(H2,25,31)(H,28,29)(H,30,32).
What are the key properties of N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide?
N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 478.58 g/mol, XLogP of 4.00, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 144617633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).