N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine

C6H5BrN2S — CID 145183019

IUPACN-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine
SMILESC=Cc1nc(Br)sc1N=C
InChIInChI=1S/C6H5BrN2S/c1-3-4-5(8-2)10-6(7)9-4/h3H,1-2H2
InChIKeyWDUZCCRSODXKCQ-UHFFFAOYSA-N
MW217.09 g/mol
LogP2.88
Rot. Bonds2

About N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine

N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine (PubChem CID 145183019) has the molecular formula C6H5BrN2S and a molecular weight of 217.09 g/mol. Its IUPAC name is N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine.

Molecular Properties

Compound NameN-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine
PubChem CID145183019
Molecular FormulaC6H5BrN2S
Molecular Weight217.09 g/mol
Exact Mass215.94
IUPAC NameN-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine
SMILESC=Cc1nc(Br)sc1N=C
InChIInChI=1S/C6H5BrN2S/c1-3-4-5(8-2)10-6(7)9-4/h3H,1-2H2
InChIKeyWDUZCCRSODXKCQ-UHFFFAOYSA-N
XLogP2.88
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine?
The IUPAC name of N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine (CID 145183019) is N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine.
What is the SMILES notation for N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine?
The canonical SMILES for N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine is C=Cc1nc(Br)sc1N=C.
What is the InChIKey of N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine?
The InChIKey is WDUZCCRSODXKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2S/c1-3-4-5(8-2)10-6(7)9-4/h3H,1-2H2.
What are the key properties of N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine?
N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine has a molecular weight of 217.09 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-ethenyl-1,3-thiazol-5-yl)methanimine is sourced from PubChem (CID 145183019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).