3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide

C18H19BrN2S — CID 18552881

IUPAC3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.CCn1c(-c2ccccc2)cs/c1=N\c1cccc(C)c1
InChIInChI=1S/C18H18N2S.BrH/c1-3-20-17(15-9-5-4-6-10-15)13-21-18(20)19-16-11-7-8-14(2)12-16;/h4-13H,3H2,1-2H3;1H/b19-18-;
InChIKeyOBXIJXHZEJIABO-TVWXOORISA-N
MW375.34 g/mol
LogP5.36
Rot. Bonds3

About 3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide

3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide (PubChem CID 18552881) has the molecular formula C18H19BrN2S and a molecular weight of 375.34 g/mol. Its IUPAC name is 3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound Name3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
PubChem CID18552881
Molecular FormulaC18H19BrN2S
Molecular Weight375.34 g/mol
Exact Mass374.05
IUPAC Name3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.CCn1c(-c2ccccc2)cs/c1=N\c1cccc(C)c1
InChIInChI=1S/C18H18N2S.BrH/c1-3-20-17(15-9-5-4-6-10-15)13-21-18(20)19-16-11-7-8-14(2)12-16;/h4-13H,3H2,1-2H3;1H/b19-18-;
InChIKeyOBXIJXHZEJIABO-TVWXOORISA-N
XLogP5.36
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.34
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of 3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide (CID 18552881) is 3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for 3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for 3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide is Br.CCn1c(-c2ccccc2)cs/c1=N\c1cccc(C)c1.
What is the InChIKey of 3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is OBXIJXHZEJIABO-TVWXOORISA-N. The full InChI is InChI=1S/C18H18N2S.BrH/c1-3-20-17(15-9-5-4-6-10-15)13-21-18(20)19-16-11-7-8-14(2)12-16;/h4-13H,3H2,1-2H3;1H/b19-18-;.
What are the key properties of 3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide?
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 375.34 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 18552881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).