(E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine

C10H7BrN2S — CID 10730521

IUPAC(E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine
SMILESBrc1ccc(/C=N/c2nccs2)cc1
InChIInChI=1S/C10H7BrN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-7H/b13-7+
InChIKeyBSHWCSJEBWOCKN-NTUHNPAUSA-N
MW267.15 g/mol
LogP3.66
Rot. Bonds2

About (E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine

(E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine (PubChem CID 10730521) has the molecular formula C10H7BrN2S and a molecular weight of 267.15 g/mol. Its IUPAC name is (E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine
PubChem CID10730521
Molecular FormulaC10H7BrN2S
Molecular Weight267.15 g/mol
Exact Mass265.95
IUPAC Name(E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine
SMILESBrc1ccc(/C=N/c2nccs2)cc1
InChIInChI=1S/C10H7BrN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-7H/b13-7+
InChIKeyBSHWCSJEBWOCKN-NTUHNPAUSA-N
XLogP3.66
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 53.66
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 (E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine?
The IUPAC name of (E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine (CID 10730521) is (E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for (E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine?
The canonical SMILES for (E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine is Brc1ccc(/C=N/c2nccs2)cc1.
What is the InChIKey of (E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine?
The InChIKey is BSHWCSJEBWOCKN-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H7BrN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-7H/b13-7+.
What are the key properties of (E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine?
(E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine has a molecular weight of 267.15 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromophenyl)-N-(1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 10730521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).