N-(1,3-benzothiazol-2-yl)ethanimine

C9H8N2S — CID 1083282

IUPACN-(1,3-benzothiazol-2-yl)ethanimine
SMILESCC=Nc1nc2ccccc2s1
InChIInChI=1S/C9H8N2S/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h2-6H,1H3
InChIKeyDLGSLGPTYFMNCI-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.02
Rot. Bonds1

About N-(1,3-benzothiazol-2-yl)ethanimine

N-(1,3-benzothiazol-2-yl)ethanimine (PubChem CID 1083282) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)ethanimine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)ethanimine
PubChem CID1083282
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC NameN-(1,3-benzothiazol-2-yl)ethanimine
SMILESCC=Nc1nc2ccccc2s1
InChIInChI=1S/C9H8N2S/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h2-6H,1H3
InChIKeyDLGSLGPTYFMNCI-UHFFFAOYSA-N
XLogP3.02
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-(1,3-benzothiazol-2-ylimino)butan-2-one
CID 21205395
N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine
CID 57169234
(E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine
CID 14963060
4-(1,3-benzothiazol-2-yliminomethyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 4859511
4-[(E)-1,3-benzothiazol-2-yliminomethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 135608237
4-(1,3-benzothiazol-2-yliminomethyl)-2,6-ditert-butylphenol
CID 5047427
2-(1,3-benzothiazol-2-yliminomethyl)-4-nitrophenol
CID 584602
N-(1,3-benzothiazol-2-yl)-3-methyl-1,3-benzothiazol-2-imine
CID 71219201
(E)-N-(1,3-benzothiazol-2-yl)-1-(4-dodecoxyphenyl)methanimine
CID 177492082
4-[(E)-1,3-benzothiazol-2-yliminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135657795
2-ethenyl-1,3-benzothiazole;hydroiodide
CID 173330780
[4-[(E)-1,3-benzothiazol-2-yliminomethyl]phenyl] tetradecanoate
CID 177437063

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)ethanimine?
The IUPAC name of N-(1,3-benzothiazol-2-yl)ethanimine (CID 1083282) is N-(1,3-benzothiazol-2-yl)ethanimine.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)ethanimine?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)ethanimine is CC=Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)ethanimine?
The InChIKey is DLGSLGPTYFMNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h2-6H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)ethanimine?
N-(1,3-benzothiazol-2-yl)ethanimine has a molecular weight of 176.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)ethanimine is sourced from PubChem (CID 1083282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).