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

C15H12N2OS — CID 511722

IUPACN-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2nsc3ccccc23)cc1
InChIInChI=1S/C15H12N2OS/c1-18-12-8-6-11(7-9-12)10-16-15-13-4-2-3-5-14(13)19-17-15/h2-10H,1H3/b16-10+
InChIKeyGFCULCXZSLYMRD-MHWRWJLKSA-N
MW268.34 g/mol
LogP4.06
Rot. Bonds3

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

N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine (PubChem CID 511722) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine
PubChem CID511722
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2nsc3ccccc23)cc1
InChIInChI=1S/C15H12N2OS/c1-18-12-8-6-11(7-9-12)10-16-15-13-4-2-3-5-14(13)19-17-15/h2-10H,1H3/b16-10+
InChIKeyGFCULCXZSLYMRD-MHWRWJLKSA-N
XLogP4.06
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.06
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

6-{[(1,2-Benzothiazol-3-yl)amino]methylidene}-2-methoxycyclohexa-2,4-dien-1-one
CID 511723
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
1-(4-methoxyphenyl)-N-(5-methyl-1,2-benzothiazol-3-yl)methanimine
CID 511729
3-Methoxy-1,2-benzisothiazole
CID 38736
7-Methoxybenzo[d]isothiazol-3-amine
CID 13123248
3-(4-Methoxyphenyl)-1,2-benzothiazole
CID 102173718
4-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064204
5-Fluoro-6-methoxy-1,2-benzothiazole
CID 130064220
6-Methoxy-3-phenyl-1,2-benzothiazole
CID 146163286
((1,2-Benzisothiazol-3-yloxy)methyl)(diethyl)amine
CID 16205960
6-(Difluoromethoxy)-1,2-benzothiazole
CID 121231923

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine (CID 511722) is N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/c2nsc3ccccc23)cc1.
What is the InChIKey of N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine?
The InChIKey is GFCULCXZSLYMRD-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-18-12-8-6-11(7-9-12)10-16-15-13-4-2-3-5-14(13)19-17-15/h2-10H,1H3/b16-10+.
What are the key properties of N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine?
N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine has a molecular weight of 268.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 511722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).