1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine

C16H14N2OS — CID 511729

IUPAC1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine
SMILESCOc1ccc(/C=N/c2nsc3ccc(C)cc23)cc1
InChIInChI=1S/C16H14N2OS/c1-11-3-8-15-14(9-11)16(18-20-15)17-10-12-4-6-13(19-2)7-5-12/h3-10H,1-2H3/b17-10+
InChIKeyFLTDJJZNXSXWDD-LICLKQGHSA-N
MW282.37 g/mol
LogP4.36
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine

1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine (PubChem CID 511729) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine
PubChem CID511729
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine
SMILESCOc1ccc(/C=N/c2nsc3ccc(C)cc23)cc1
InChIInChI=1S/C16H14N2OS/c1-11-3-8-15-14(9-11)16(18-20-15)17-10-12-4-6-13(19-2)7-5-12/h3-10H,1-2H3/b17-10+
InChIKeyFLTDJJZNXSXWDD-LICLKQGHSA-N
XLogP4.36
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-{[(1,2-Benzothiazol-3-yl)amino]methylidene}-2-methoxycyclohexa-2,5-dien-1-one
CID 511724
2-[(5-Methyl-benzo[d]isothiazol-3-ylimino)-methyl]-phenol
CID 511726
N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine
CID 511722
6-Fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole
CID 18683312
6-Methoxybenzo[d]isothiazol-3-amine
CID 10397392
3-(2-Methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole
CID 18683319
6-Phenylmethoxy-1,2-benzothiazol-3-amine
CID 22106878
7-Methoxybenzo[e][1,2]benzothiazole
CID 66845923
5-(4-Methoxyphenyl)-1,2-benzothiazol-3-amine
CID 85874154
3-[(4-Methoxyphenyl)methyl]-1,2-benzothiazole
CID 91257928
Ethane;1-methoxy-3-methylbenzene;5-methyl-1,2-benzothiazol-3-amine;1-(3-methylphenyl)ethanimine
CID 143222845
1,2-benzothiazole;ethanamine;ethane;S-[4-(4-methoxyphenyl)phenyl]thiohydroxylamine
CID 143285261

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine (CID 511729) is 1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine is COc1ccc(/C=N/c2nsc3ccc(C)cc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine?
The InChIKey is FLTDJJZNXSXWDD-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-3-8-15-14(9-11)16(18-20-15)17-10-12-4-6-13(19-2)7-5-12/h3-10H,1-2H3/b17-10+.
What are the key properties of 1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine?
1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine has a molecular weight of 282.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine is sourced from PubChem (CID 511729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).