1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine

C24H28N4O2S — CID 58060439

IUPAC1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine
SMILESCc1cccc(/C=N/Cc2cc(N3CCOCC3)cc(OCCc3cnc(C)s3)n2)c1
InChIInChI=1S/C24H28N4O2S/c1-18-4-3-5-20(12-18)15-25-16-21-13-22(28-7-10-29-11-8-28)14-24(27-21)30-9-6-23-17-26-19(2)31-23/h3-5,12-15,17H,6-11,16H2,1-2H3/b25-15+
InChIKeyYKHRBWHPCRGTFC-MFKUBSTISA-N
MW436.58 g/mol
LogP4.23
Rot. Bonds8

About 1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine

1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine (PubChem CID 58060439) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine
PubChem CID58060439
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine
SMILESCc1cccc(/C=N/Cc2cc(N3CCOCC3)cc(OCCc3cnc(C)s3)n2)c1
InChIInChI=1S/C24H28N4O2S/c1-18-4-3-5-20(12-18)15-25-16-21-13-22(28-7-10-29-11-8-28)14-24(27-21)30-9-6-23-17-26-19(2)31-23/h3-5,12-15,17H,6-11,16H2,1-2H3/b25-15+
InChIKeyYKHRBWHPCRGTFC-MFKUBSTISA-N
XLogP4.23
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060561
1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine
CID 58060217
ethyl N-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]carbamate
CID 58060069
2-methyl-1-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-3-propylguanidine
CID 58060487
1-[3-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 58060410
N-methyl-3-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyliminomethyl]aniline
CID 58060175
N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060423
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
2-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethanol
CID 66682083
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
6-[2-(diethylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682112

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine?
The IUPAC name of 1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine (CID 58060439) is 1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine?
The canonical SMILES for 1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine is Cc1cccc(/C=N/Cc2cc(N3CCOCC3)cc(OCCc3cnc(C)s3)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine?
The InChIKey is YKHRBWHPCRGTFC-MFKUBSTISA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-18-4-3-5-20(12-18)15-25-16-21-13-22(28-7-10-29-11-8-28)14-24(27-21)30-9-6-23-17-26-19(2)31-23/h3-5,12-15,17H,6-11,16H2,1-2H3/b25-15+.
What are the key properties of 1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine?
1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine has a molecular weight of 436.58 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine is sourced from PubChem (CID 58060439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).