(E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine

C12H8N2OS — CID 14963060

IUPAC(E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine
SMILESC(=N/c1nc2ccccc2s1)\c1ccco1
InChIInChI=1S/C12H8N2OS/c1-2-6-11-10(5-1)14-12(16-11)13-8-9-4-3-7-15-9/h1-8H/b13-8+
InChIKeyINSPSGOFMKGKQX-MDWZMJQESA-N
MW228.28 g/mol
LogP3.64
Rot. Bonds2

About (E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine

(E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine (PubChem CID 14963060) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is (E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine
PubChem CID14963060
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name(E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine
SMILESC(=N/c1nc2ccccc2s1)\c1ccco1
InChIInChI=1S/C12H8N2OS/c1-2-6-11-10(5-1)14-12(16-11)13-8-9-4-3-7-15-9/h1-8H/b13-8+
InChIKeyINSPSGOFMKGKQX-MDWZMJQESA-N
XLogP3.64
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.64
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

N-(1,3-benzothiazol-2-yl)ethanimine
CID 1083282
N-(1,3-benzothiazol-2-yl)-1-(2,6-dichlorophenyl)methanimine
CID 57169234
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
4-(1,3-benzothiazol-2-yliminomethyl)-2,6-ditert-butylphenol
CID 5047427
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide
CID 687735
4-[(E)-1,3-benzothiazol-2-yliminomethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 135608237
4-(1,3-benzothiazol-2-yliminomethyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 4859511
N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide
CID 7543282
(E)-1-(furan-2-yl)-N-[3-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-yl]methanimine
CID 71495265
4-(1,3-benzothiazol-2-yliminomethyl)-2-(2-bromophenyl)-1,3-oxazol-5-ol
CID 3874219
ethane;1-(furan-2-yl)-N-phenylmethanimine
CID 160534475
(4E)-4-(1,3-benzothiazol-2-ylimino)butan-2-one
CID 21205395

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine?
The IUPAC name of (E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine (CID 14963060) is (E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine.
What is the SMILES notation for (E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine?
The canonical SMILES for (E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine is C(=N/c1nc2ccccc2s1)\c1ccco1.
What is the InChIKey of (E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine?
The InChIKey is INSPSGOFMKGKQX-MDWZMJQESA-N. The full InChI is InChI=1S/C12H8N2OS/c1-2-6-11-10(5-1)14-12(16-11)13-8-9-4-3-7-15-9/h1-8H/b13-8+.
What are the key properties of (E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine?
(E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine has a molecular weight of 228.28 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)methanimine is sourced from PubChem (CID 14963060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).