methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide

C24H31N7O2S — CID 144617636

IUPACmethanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide
SMILESCN.NC(=O)c1cncs1.O=CCCCCCCc1ncc(-c2ccc(-n3cccn3)cc2)[nH]1
InChIInChI=1S/C19H22N4O.C4H4N2OS.CH5N/c24-14-5-3-1-2-4-7-19-20-15-18(22-19)16-8-10-17(11-9-16)23-13-6-12-21-23;5-4(7)3-1-6-2-8-3;1-2/h6,8-15H,1-5,7H2,(H,20,22);1-2H,(H2,5,7);2H2,1H3
InChIKeyZCHGWINMYKSFDA-UHFFFAOYSA-N
MW481.63 g/mol
LogP3.77
Rot. Bonds10

About methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide

methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide (PubChem CID 144617636) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Namemethanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide
PubChem CID144617636
Molecular FormulaC24H31N7O2S
Molecular Weight481.63 g/mol
Exact Mass481.23
IUPAC Namemethanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide
SMILESCN.NC(=O)c1cncs1.O=CCCCCCCc1ncc(-c2ccc(-n3cccn3)cc2)[nH]1
InChIInChI=1S/C19H22N4O.C4H4N2OS.CH5N/c24-14-5-3-1-2-4-7-19-20-15-18(22-19)16-8-10-17(11-9-16)23-13-6-12-21-23;5-4(7)3-1-6-2-8-3;1-2/h6,8-15H,1-5,7H2,(H,20,22);1-2H,(H2,5,7);2H2,1H3
InChIKeyZCHGWINMYKSFDA-UHFFFAOYSA-N
XLogP3.77
TPSA145.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal
CID 144617595
3-(1,3-benzothiazol-2-yl)-N-methylpropanamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal
CID 144617541
3-[2-[(Z)-aminomethylideneamino]-4,6-dimethylpyrimidin-5-yl]propanamide;ethane;N-methylmethanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal
CID 144617535
7-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]heptanal
CID 130373888
8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one
CID 144617626
4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878677
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
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
2-[4-(4-pyrazol-1-ylphenyl)phenyl]sulfanylacetamide
CID 50958751
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659
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
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189

Frequently Asked Questions

What is the IUPAC name of methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide?
The IUPAC name of methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide (CID 144617636) is methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide.
What is the SMILES notation for methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide?
The canonical SMILES for methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide is CN.NC(=O)c1cncs1.O=CCCCCCCc1ncc(-c2ccc(-n3cccn3)cc2)[nH]1.
What is the InChIKey of methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide?
The InChIKey is ZCHGWINMYKSFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.C4H4N2OS.CH5N/c24-14-5-3-1-2-4-7-19-20-15-18(22-19)16-8-10-17(11-9-16)23-13-6-12-21-23;5-4(7)3-1-6-2-8-3;1-2/h6,8-15H,1-5,7H2,(H,20,22);1-2H,(H2,5,7);2H2,1H3.
What are the key properties of methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide?
methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide has a molecular weight of 481.63 g/mol, XLogP of 3.77, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide is sourced from PubChem (CID 144617636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).