(Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

C14H9N5OS2 — CID 5390829

IUPAC(Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1)\c1ccc(Sc2nc3ccccc3s2)o1
InChIInChI=1S/C14H9N5OS2/c1-2-4-12-11(3-1)18-14(21-12)22-13-6-5-10(20-13)7-17-19-8-15-16-9-19/h1-9H/b17-7-
InChIKeyBDEBHVMEUOILNX-IDUWFGFVSA-N
MW327.39 g/mol
LogP3.51
Rot. Bonds4

About (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5390829) has the molecular formula C14H9N5OS2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5390829
Molecular FormulaC14H9N5OS2
Molecular Weight327.39 g/mol
Exact Mass327.02
IUPAC Name(Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1)\c1ccc(Sc2nc3ccccc3s2)o1
InChIInChI=1S/C14H9N5OS2/c1-2-4-12-11(3-1)18-14(21-12)22-13-6-5-10(20-13)7-17-19-8-15-16-9-19/h1-9H/b17-7-
InChIKeyBDEBHVMEUOILNX-IDUWFGFVSA-N
XLogP3.51
TPSA69.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine with MolForge

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Related Compounds

(E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 171980105
N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]octanamide
CID 6020464
(E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5347293
3-acetamido-N-[[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide
CID 4650922
1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]ethanone
CID 113437421
N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
CID 73462772
(E)-3-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
CID 126000497
(5Z)-5-[[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylidene]-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137162385
(Z)-3-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
CID 126200819
N-[(E)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide
CID 46502215
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-phenylfuran-2-yl)methylideneamino]acetamide
CID 4709951
(E)-1-(5-methylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6858623

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine (CID 5390829) is (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is C(=N\n1cnnc1)\c1ccc(Sc2nc3ccccc3s2)o1.
What is the InChIKey of (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is BDEBHVMEUOILNX-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H9N5OS2/c1-2-4-12-11(3-1)18-14(21-12)22-13-6-5-10(20-13)7-17-19-8-15-16-9-19/h1-9H/b17-7-.
What are the key properties of (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 327.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5390829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).