(E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine

C17H16BrN3S — CID 10547399

IUPAC(E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(Br)cc2)cs/c1=N/c1cccc(C)n1
InChIInChI=1S/C17H16BrN3S/c1-3-21-15(13-7-9-14(18)10-8-13)11-22-17(21)20-16-6-4-5-12(2)19-16/h4-11H,3H2,1-2H3/b20-17+
InChIKeyTYHIVKJBXGRKIE-LVZFUZTISA-N
MW374.31 g/mol
LogP4.93
Rot. Bonds3

About (E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine

(E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine (PubChem CID 10547399) has the molecular formula C17H16BrN3S and a molecular weight of 374.31 g/mol. Its IUPAC name is (E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine
PubChem CID10547399
Molecular FormulaC17H16BrN3S
Molecular Weight374.31 g/mol
Exact Mass373.02
IUPAC Name(E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(Br)cc2)cs/c1=N/c1cccc(C)n1
InChIInChI=1S/C17H16BrN3S/c1-3-21-15(13-7-9-14(18)10-8-13)11-22-17(21)20-16-6-4-5-12(2)19-16/h4-11H,3H2,1-2H3/b20-17+
InChIKeyTYHIVKJBXGRKIE-LVZFUZTISA-N
XLogP4.93
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 15318681
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide
CID 45125365
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881
3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 5170510
3-benzyl-4-(4-bromophenyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
CID 5173605
3-[4-(4-bromophenyl)-2-naphthalen-1-ylimino-1,3-thiazol-3-yl]propan-1-ol
CID 2268417
4-(4-bromophenyl)-N-naphthalen-1-yl-3-prop-2-enyl-1,3-thiazol-2-imine bromide
CID 21179317
N-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 584019
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine
CID 23850728
1-[3-[4-(4-bromophenyl)-2-(2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
CID 23795975
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine (CID 10547399) is (E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine is CCn1c(-c2ccc(Br)cc2)cs/c1=N/c1cccc(C)n1.
What is the InChIKey of (E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine?
The InChIKey is TYHIVKJBXGRKIE-LVZFUZTISA-N. The full InChI is InChI=1S/C17H16BrN3S/c1-3-21-15(13-7-9-14(18)10-8-13)11-22-17(21)20-16-6-4-5-12(2)19-16/h4-11H,3H2,1-2H3/b20-17+.
What are the key properties of (E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine?
(E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine has a molecular weight of 374.31 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 10547399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).