4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine

C15H11BrN4S — CID 17132316

IUPAC4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(N/N=C/c3ccccn3)n2)cc1
InChIInChI=1S/C15H11BrN4S/c16-12-6-4-11(5-7-12)14-10-21-15(19-14)20-18-9-13-3-1-2-8-17-13/h1-10H,(H,19,20)/b18-9+
InChIKeyWUIGPJABAAOYDQ-GIJQJNRQSA-N
MW359.25 g/mol
LogP4.41
Rot. Bonds4

About 4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 17132316) has the molecular formula C15H11BrN4S and a molecular weight of 359.25 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID17132316
Molecular FormulaC15H11BrN4S
Molecular Weight359.25 g/mol
Exact Mass357.99
IUPAC Name4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(N/N=C/c3ccccn3)n2)cc1
InChIInChI=1S/C15H11BrN4S/c16-12-6-4-11(5-7-12)14-10-21-15(19-14)20-18-9-13-3-1-2-8-17-13/h1-10H,(H,19,20)/b18-9+
InChIKeyWUIGPJABAAOYDQ-GIJQJNRQSA-N
XLogP4.41
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 155925476
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
4-(4-bromophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6291023
4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787633
4-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 3793731
4-(4-bromophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 22308276
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
4-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 1184402
4-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol
CID 135473241
N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578465
4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 124529739
N-[(Z)-(4-bromophenyl)methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110533321

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine (CID 17132316) is 4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine is Brc1ccc(-c2csc(N/N=C/c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is WUIGPJABAAOYDQ-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H11BrN4S/c16-12-6-4-11(5-7-12)14-10-21-15(19-14)20-18-9-13-3-1-2-8-17-13/h1-10H,(H,19,20)/b18-9+.
What are the key properties of 4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 359.25 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 17132316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).