1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine

C24H25N3S — CID 91158691

IUPAC1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine
SMILES[H]/N=C1\CC(c2sc(CC)nc2-c2cccc(C)c2)=CCN1Cc1ccccc1
InChIInChI=1S/C24H25N3S/c1-3-22-26-23(19-11-7-8-17(2)14-19)24(28-22)20-12-13-27(21(25)15-20)16-18-9-5-4-6-10-18/h4-12,14,25H,3,13,15-16H2,1-2H3/b25-21+
InChIKeyOCCPYRQCRWOJDO-NJNXFGOHSA-N
MW387.55 g/mol
LogP5.95
Rot. Bonds5

About 1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine

1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine (PubChem CID 91158691) has the molecular formula C24H25N3S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine.

Molecular Properties

Compound Name1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine
PubChem CID91158691
Molecular FormulaC24H25N3S
Molecular Weight387.55 g/mol
Exact Mass387.18
IUPAC Name1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine
SMILES[H]/N=C1\CC(c2sc(CC)nc2-c2cccc(C)c2)=CCN1Cc1ccccc1
InChIInChI=1S/C24H25N3S/c1-3-22-26-23(19-11-7-8-17(2)14-19)24(28-22)20-12-13-27(21(25)15-20)16-18-9-5-4-6-10-18/h4-12,14,25H,3,13,15-16H2,1-2H3/b25-21+
InChIKeyOCCPYRQCRWOJDO-NJNXFGOHSA-N
XLogP5.95
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine?
The IUPAC name of 1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine (CID 91158691) is 1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine.
What is the SMILES notation for 1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine?
The canonical SMILES for 1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine is [H]/N=C1\CC(c2sc(CC)nc2-c2cccc(C)c2)=CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine?
The InChIKey is OCCPYRQCRWOJDO-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H25N3S/c1-3-22-26-23(19-11-7-8-17(2)14-19)24(28-22)20-12-13-27(21(25)15-20)16-18-9-5-4-6-10-18/h4-12,14,25H,3,13,15-16H2,1-2H3/b25-21+.
What are the key properties of 1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine?
1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine has a molecular weight of 387.55 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2,5-dihydropyridin-6-imine is sourced from PubChem (CID 91158691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).