N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine

C20H16N2O2S — CID 75609457

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine
SMILESCOc1cc2nc(N=Cc3ccc4ccccc4c3)sc2cc1OC
InChIInChI=1S/C20H16N2O2S/c1-23-17-10-16-19(11-18(17)24-2)25-20(22-16)21-12-13-7-8-14-5-3-4-6-15(14)9-13/h3-12H,1-2H3
InChIKeyZMVKLZQOLCZXNQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.22
Rot. Bonds4

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine (PubChem CID 75609457) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine
PubChem CID75609457
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine
SMILESCOc1cc2nc(N=Cc3ccc4ccccc4c3)sc2cc1OC
InChIInChI=1S/C20H16N2O2S/c1-23-17-10-16-19(11-18(17)24-2)25-20(22-16)21-12-13-7-8-14-5-3-4-6-15(14)9-13/h3-12H,1-2H3
InChIKeyZMVKLZQOLCZXNQ-UHFFFAOYSA-N
XLogP5.22
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-[(E)-[2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol
CID 135505246
1-(3,4-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 35580173
1-thiophen-2-yl-N-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)methanimine
CID 75608323
2,6-dimethoxy-4-(naphthalen-2-yliminomethyl)phenol
CID 1284379
5,6-dimethoxy-2-methyl-1,3-benzothiazole;hydrate
CID 51056765
(E)-N-(1,3-benzothiazol-2-yl)-1-(4-dodecoxyphenyl)methanimine
CID 177492082
3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol
CID 137193866
3,4-dibromo-6-methoxy-2-[(E)-(6-methyl-1,3-benzothiazol-2-yl)iminomethyl]phenol
CID 135411971
4-(1,3-benzothiazol-2-yliminomethyl)-2,6-ditert-butylphenol
CID 5047427
1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 50905580
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenol
CID 11231216
methyl 2-[(2-hydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxylate
CID 787707

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine (CID 75609457) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine is COc1cc2nc(N=Cc3ccc4ccccc4c3)sc2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine?
The InChIKey is ZMVKLZQOLCZXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-23-17-10-16-19(11-18(17)24-2)25-20(22-16)21-12-13-7-8-14-5-3-4-6-15(14)9-13/h3-12H,1-2H3.
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine has a molecular weight of 348.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-naphthalen-2-ylmethanimine is sourced from PubChem (CID 75609457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).