(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 12690429
2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 137279187
(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 171980446
[2-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenyl] 2-methylprop-2-enoate
CID 177450648
(E)-1-(7-bromo-1,3-benzodioxol-5-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 171980448
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
1-thiophen-2-yl-N-tribenzylsilyloxymethanimine
CID 91224164
2-(4-fluorophenyl)-5-methyl-4-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]-1H-pyrazol-3-one
CID 135628467
N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline
CID 70556050
N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine
CID 2351568
1-(3-chlorophenyl)-6-hydroxy-5-[(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyrimidine-2,4-dione
CID 3119701

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).