(E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine

C13H9N3S2 — CID 139076781

IUPAC(E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine
SMILESC(=N/c1nnc(-c2ccccc2)s1)\c1cccs1
InChIInChI=1S/C13H9N3S2/c1-2-5-10(6-3-1)12-15-16-13(18-12)14-9-11-7-4-8-17-11/h1-9H/b14-9+
InChIKeyYOLSMNNCOSNMCM-NTEUORMPSA-N
MW271.37 g/mol
LogP4.02
Rot. Bonds3

About (E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine

(E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine (PubChem CID 139076781) has the molecular formula C13H9N3S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is (E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine
PubChem CID139076781
Molecular FormulaC13H9N3S2
Molecular Weight271.37 g/mol
Exact Mass271.02
IUPAC Name(E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine
SMILESC(=N/c1nnc(-c2ccccc2)s1)\c1cccs1
InChIInChI=1S/C13H9N3S2/c1-2-5-10(6-3-1)12-15-16-13(18-12)14-9-11-7-4-8-17-11/h1-9H/b14-9+
InChIKeyYOLSMNNCOSNMCM-NTEUORMPSA-N
XLogP4.02
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine?
The IUPAC name of (E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine (CID 139076781) is (E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for (E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for (E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine is C(=N/c1nnc(-c2ccccc2)s1)\c1cccs1.
What is the InChIKey of (E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine?
The InChIKey is YOLSMNNCOSNMCM-NTEUORMPSA-N. The full InChI is InChI=1S/C13H9N3S2/c1-2-5-10(6-3-1)12-15-16-13(18-12)14-9-11-7-4-8-17-11/h1-9H/b14-9+.
What are the key properties of (E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine?
(E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine has a molecular weight of 271.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 139076781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).