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

C17H16N2OS — CID 3408092

IUPAC1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc3sc(C)nc3c2)cc1
InChIInChI=1S/C17H16N2OS/c1-3-20-15-7-4-13(5-8-15)11-18-14-6-9-17-16(10-14)19-12(2)21-17/h4-11H,3H2,1-2H3/b18-11+
InChIKeyRNQSSMRFDYTFFR-WOJGMQOQSA-N
MW296.40 g/mol
LogP4.75
Rot. Bonds4

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

1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine (PubChem CID 3408092) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine
PubChem CID3408092
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc3sc(C)nc3c2)cc1
InChIInChI=1S/C17H16N2OS/c1-3-20-15-7-4-13(5-8-15)11-18-14-6-9-17-16(10-14)19-12(2)21-17/h4-11H,3H2,1-2H3/b18-11+
InChIKeyRNQSSMRFDYTFFR-WOJGMQOQSA-N
XLogP4.75
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.75
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

5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
1-[4-[[4,6-bis[4-[(4-ethoxyphenyl)iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 146036776
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
methyl N-(2-methyl-1,3-benzothiazol-5-yl)methanimidate
CID 45077051
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine
CID 2311839
1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
CID 835095
N-(3,5-dichlorophenyl)-1-(4-ethoxyphenyl)methanimine
CID 693665
1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine
CID 17387645
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450646

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine (CID 3408092) is 1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine is CCOc1ccc(/C=N/c2ccc3sc(C)nc3c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine?
The InChIKey is RNQSSMRFDYTFFR-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-3-20-15-7-4-13(5-8-15)11-18-14-6-9-17-16(10-14)19-12(2)21-17/h4-11H,3H2,1-2H3/b18-11+.
What are the key properties of 1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine?
1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine has a molecular weight of 296.40 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine is sourced from PubChem (CID 3408092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).