1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine

C26H20N2OS — CID 2177370

IUPAC1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c2ccccc12
InChIInChI=1S/C26H20N2OS/c1-17-7-13-23-25(15-17)30-26(28-23)18-8-11-20(12-9-18)27-16-19-10-14-24(29-2)22-6-4-3-5-21(19)22/h3-16H,1-2H3/b27-16+
InChIKeyNDYFPKNPQRLNAM-JVWAILMASA-N
MW408.53 g/mol
LogP7.18
Rot. Bonds4

About 1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine

1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine (PubChem CID 2177370) has the molecular formula C26H20N2OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
PubChem CID2177370
Molecular FormulaC26H20N2OS
Molecular Weight408.53 g/mol
Exact Mass408.13
IUPAC Name1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
SMILESCOc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c2ccccc12
InChIInChI=1S/C26H20N2OS/c1-17-7-13-23-25(15-17)30-26(28-23)18-8-11-20(12-9-18)27-16-19-10-14-24(29-2)22-6-4-3-5-21(19)22/h3-16H,1-2H3/b27-16+
InChIKeyNDYFPKNPQRLNAM-JVWAILMASA-N
XLogP7.18
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.53
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine (CID 2177370) is 1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine is COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
The InChIKey is NDYFPKNPQRLNAM-JVWAILMASA-N. The full InChI is InChI=1S/C26H20N2OS/c1-17-7-13-23-25(15-17)30-26(28-23)18-8-11-20(12-9-18)27-16-19-10-14-24(29-2)22-6-4-3-5-21(19)22/h3-16H,1-2H3/b27-16+.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine has a molecular weight of 408.53 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine is sourced from PubChem (CID 2177370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).