(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine

C19H12BrN3OS — CID 171980446

IUPAC(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
SMILESBrc1ccc(-c2ccc(/C=N/c3nnc(-c4ccccc4)s3)o2)cc1
InChIInChI=1S/C19H12BrN3OS/c20-15-8-6-13(7-9-15)17-11-10-16(24-17)12-21-19-23-22-18(25-19)14-4-2-1-3-5-14/h1-12H/b21-12+
InChIKeyLHHKBMLCNOLMSY-CIAFOILYSA-N
MW410.30 g/mol
LogP5.98
Rot. Bonds4

About (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine

(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine (PubChem CID 171980446) has the molecular formula C19H12BrN3OS and a molecular weight of 410.30 g/mol. Its IUPAC name is (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
PubChem CID171980446
Molecular FormulaC19H12BrN3OS
Molecular Weight410.30 g/mol
Exact Mass408.99
IUPAC Name(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
SMILESBrc1ccc(-c2ccc(/C=N/c3nnc(-c4ccccc4)s3)o2)cc1
InChIInChI=1S/C19H12BrN3OS/c20-15-8-6-13(7-9-15)17-11-10-16(24-17)12-21-19-23-22-18(25-19)14-4-2-1-3-5-14/h1-12H/b21-12+
InChIKeyLHHKBMLCNOLMSY-CIAFOILYSA-N
XLogP5.98
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 12690429
N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine
CID 23908299
(E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine
CID 139076781
(E)-1-(7-bromo-1,3-benzodioxol-5-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 171980448
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 45128965
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 1007648
2-phenyl-5-[(Z)-2-(5-phenylfuran-2-yl)ethenyl]furan
CID 11381399
3-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine;dihydrochloride
CID 91962126
2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 137279187
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
N-methoxy-1-(5-phenylfuran-2-yl)methanimine
CID 23242299

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine?
The IUPAC name of (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine (CID 171980446) is (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine.
What is the SMILES notation for (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine?
The canonical SMILES for (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine is Brc1ccc(-c2ccc(/C=N/c3nnc(-c4ccccc4)s3)o2)cc1.
What is the InChIKey of (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine?
The InChIKey is LHHKBMLCNOLMSY-CIAFOILYSA-N. The full InChI is InChI=1S/C19H12BrN3OS/c20-15-8-6-13(7-9-15)17-11-10-16(24-17)12-21-19-23-22-18(25-19)14-4-2-1-3-5-14/h1-12H/b21-12+.
What are the key properties of (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine?
(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine has a molecular weight of 410.30 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine is sourced from PubChem (CID 171980446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).