methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal

C33H39N5O2S — CID 144617555

IUPACmethanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal
SMILESCN.CNC(=O)Cc1nc(-c2ccccc2)cs1.O=CCCCCCCc1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C20H22N2O.C12H12N2OS.CH5N/c23-13-7-3-1-2-4-10-20-21-15-19(22-20)18-12-11-16-8-5-6-9-17(16)14-18;1-13-11(15)7-12-14-10(8-16-12)9-5-3-2-4-6-9;1-2/h5-6,8-9,11-15H,1-4,7,10H2,(H,21,22);2-6,8H,7H2,1H3,(H,13,15);2H2,1H3
InChIKeyJQINAYWISFMHJN-UHFFFAOYSA-N
MW569.78 g/mol
LogP6.60
Rot. Bonds11

About methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal

methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal (PubChem CID 144617555) has the molecular formula C33H39N5O2S and a molecular weight of 569.78 g/mol. Its IUPAC name is methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal.

Molecular Properties

Compound Namemethanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal
PubChem CID144617555
Molecular FormulaC33H39N5O2S
Molecular Weight569.78 g/mol
Exact Mass569.28
IUPAC Namemethanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal
SMILESCN.CNC(=O)Cc1nc(-c2ccccc2)cs1.O=CCCCCCCc1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C20H22N2O.C12H12N2OS.CH5N/c23-13-7-3-1-2-4-10-20-21-15-19(22-20)18-12-11-16-8-5-6-9-17(16)14-18;1-13-11(15)7-12-14-10(8-16-12)9-5-3-2-4-6-9;1-2/h5-6,8-9,11-15H,1-4,7,10H2,(H,21,22);2-6,8H,7H2,1H3,(H,13,15);2H2,1H3
InChIKeyJQINAYWISFMHJN-UHFFFAOYSA-N
XLogP6.60
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.78
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal 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

3-(1,3-benzothiazol-2-yl)-N-methylpropanamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal
CID 144617541
2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide
CID 155172384
2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole
CID 155705148
methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal;1,3-thiazole-5-carboxamide
CID 144617636
7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
CID 90149185
1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
CID 60842671
2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine
CID 63954065
2-imidazo[1,2-a]pyridin-3-ylacetamide;methanamine;7-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptanal
CID 144617595
1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea
CID 118250050
5-amino-3-methyl-1,2-thiazole-4-carbaldehyde;methylamino N-[(E)-3-oxoprop-1-enyl]methanimidothioate;N-methyl-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentan-1-amine
CID 155705166
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-(1-methylpyrazol-4-yl)phenyl]-1H-imidazol-2-yl]heptanal
CID 130373774

Frequently Asked Questions

What is the IUPAC name of methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal?
The IUPAC name of methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal (CID 144617555) is methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal.
What is the SMILES notation for methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal?
The canonical SMILES for methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal is CN.CNC(=O)Cc1nc(-c2ccccc2)cs1.O=CCCCCCCc1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal?
The InChIKey is JQINAYWISFMHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.C12H12N2OS.CH5N/c23-13-7-3-1-2-4-10-20-21-15-19(22-20)18-12-11-16-8-5-6-9-17(16)14-18;1-13-11(15)7-12-14-10(8-16-12)9-5-3-2-4-6-9;1-2/h5-6,8-9,11-15H,1-4,7,10H2,(H,21,22);2-6,8H,7H2,1H3,(H,13,15);2H2,1H3.
What are the key properties of methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal?
methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal has a molecular weight of 569.78 g/mol, XLogP of 6.60, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide;7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanal is sourced from PubChem (CID 144617555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).