(E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

C14H10N8OS — CID 5347293

IUPAC(E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(Sc2nnnn2-c2ccccc2)o1
InChIInChI=1S/C14H10N8OS/c1-2-4-11(5-3-1)22-14(18-19-20-22)24-13-7-6-12(23-13)8-17-21-9-15-16-10-21/h1-10H/b17-8+
InChIKeyPLHGWBMOVBTDBN-CAOOACKPSA-N
MW338.36 g/mol
LogP1.88
Rot. Bonds5

About (E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5347293) has the molecular formula C14H10N8OS and a molecular weight of 338.36 g/mol. Its IUPAC name is (E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5347293
Molecular FormulaC14H10N8OS
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name(E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(Sc2nnnn2-c2ccccc2)o1
InChIInChI=1S/C14H10N8OS/c1-2-4-11(5-3-1)22-14(18-19-20-22)24-13-7-6-12(23-13)8-17-21-9-15-16-10-21/h1-10H/b17-8+
InChIKeyPLHGWBMOVBTDBN-CAOOACKPSA-N
XLogP1.88
TPSA99.81 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-[[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3116899
(E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 171980105
(Z)-1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5390829
(5Z)-2-(3-methylphenyl)imino-5-[[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 137036107
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
[5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol
CID 11414680
2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 2466423
2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 116798178
(2Z,5S)-5-(4-chlorophenyl)-7-methyl-3-oxo-N-phenyl-2-[[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126000453
(1-phenyltetrazol-5-yl)sulfanylcarbamic acid
CID 19435783
4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one
CID 9212270

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine (CID 5347293) is (E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1ccc(Sc2nnnn2-c2ccccc2)o1.
What is the InChIKey of (E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is PLHGWBMOVBTDBN-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10N8OS/c1-2-4-11(5-3-1)22-14(18-19-20-22)24-13-7-6-12(23-13)8-17-21-9-15-16-10-21/h1-10H/b17-8+.
What are the key properties of (E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 338.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5347293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).