1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine

C19H20N2O2S — CID 139801779

IUPAC1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine
SMILESCCON=C(C)c1ccc(OCc2nc3ccccc3s2)cc1C
InChIInChI=1S/C19H20N2O2S/c1-4-23-21-14(3)16-10-9-15(11-13(16)2)22-12-19-20-17-7-5-6-8-18(17)24-19/h5-11H,4,12H2,1-3H3
InChIKeyVDMLHIDCJTYVOG-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.94
Rot. Bonds6

About 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine

1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine (PubChem CID 139801779) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine
PubChem CID139801779
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine
SMILESCCON=C(C)c1ccc(OCc2nc3ccccc3s2)cc1C
InChIInChI=1S/C19H20N2O2S/c1-4-23-21-14(3)16-10-9-15(11-13(16)2)22-12-19-20-17-7-5-6-8-18(17)24-19/h5-11H,4,12H2,1-3H3
InChIKeyVDMLHIDCJTYVOG-UHFFFAOYSA-N
XLogP4.94
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-ylmethoxy)-2-chlorobenzenecarbothioamide
CID 102724262
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-prop-2-enylcarbamate
CID 18932380
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-butanoylcarbamate
CID 18932322
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-(4-chlorobenzoyl)carbamate
CID 18932295
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-pentanoylcarbamate
CID 18932253
ethyl 2-[4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]propanoate
CID 18932127
1-[2-acetyl-6-(1,3-benzothiazol-2-ylmethoxy)quinolin-4-yl]ethanone
CID 155355496
[4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl acetate
CID 18932446
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-(4-methylbenzoyl)carbamate
CID 18932325

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine (CID 139801779) is 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine is CCON=C(C)c1ccc(OCc2nc3ccccc3s2)cc1C.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine?
The InChIKey is VDMLHIDCJTYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-4-23-21-14(3)16-10-9-15(11-13(16)2)22-12-19-20-17-7-5-6-8-18(17)24-19/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine?
1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine has a molecular weight of 340.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-ethoxyethanimine is sourced from PubChem (CID 139801779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).