N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide

C26H28N6O2S — CID 118453227

IUPACN-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2ccc(-c3ccncc3)cc2)[nH]1
InChIInChI=1S/C26H28N6O2S/c1-27-24(33)6-4-2-3-5-21(32-26(34)23-16-29-17-35-23)25-30-15-22(31-25)20-9-7-18(8-10-20)19-11-13-28-14-12-19/h7-17,21H,2-6H2,1H3,(H,27,33)(H,30,31)(H,32,34)
InChIKeyMXQAYKVURWJOPC-UHFFFAOYSA-N
MW488.62 g/mol
LogP4.76
Rot. Bonds11

About N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide

N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide (PubChem CID 118453227) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
PubChem CID118453227
Molecular FormulaC26H28N6O2S
Molecular Weight488.62 g/mol
Exact Mass488.20
IUPAC NameN-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2ccc(-c3ccncc3)cc2)[nH]1
InChIInChI=1S/C26H28N6O2S/c1-27-24(33)6-4-2-3-5-21(32-26(34)23-16-29-17-35-23)25-30-15-22(31-25)20-9-7-18(8-10-20)19-11-13-28-14-12-19/h7-17,21H,2-6H2,1H3,(H,27,33)(H,30,31)(H,32,34)
InChIKeyMXQAYKVURWJOPC-UHFFFAOYSA-N
XLogP4.76
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[7-(methylamino)-7-oxo-1-(5-quinolin-8-yl-1H-imidazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
CID 118453105
N-[2-[5-[4-(aminomethyl)phenyl]-1H-imidazol-2-yl]-8-(methylamino)-8-oxooctyl]-1,3-thiazole-5-carboxamide
CID 123508481
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-[1-[5-(1-benzofuran-7-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 118453239
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-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide
CID 159001267
N-[7-amino-1-[5-(3-methoxyisoquinolin-7-yl)-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 144617633
N-[2-[5-[3-amino-4-(2-methylhydrazinyl)phenyl]-1H-imidazol-2-yl]-8-(methylamino)-8-oxooctyl]-1,3-thiazole-5-carboxamide
CID 123951744
N-[8-(methylamino)-2-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-imidazol-2-yl]-8-oxooctylidene]-1,3-thiazole-5-carboxamide
CID 123906303

Frequently Asked Questions

What is the IUPAC name of N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide (CID 118453227) is N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide is CNC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2ccc(-c3ccncc3)cc2)[nH]1.
What is the InChIKey of N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MXQAYKVURWJOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S/c1-27-24(33)6-4-2-3-5-21(32-26(34)23-16-29-17-35-23)25-30-15-22(31-25)20-9-7-18(8-10-20)19-11-13-28-14-12-19/h7-17,21H,2-6H2,1H3,(H,27,33)(H,30,31)(H,32,34).
What are the key properties of N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide?
N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 488.62 g/mol, XLogP of 4.76, 11 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-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118453227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).