N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

C11H9BrFN3S — CID 168616988

IUPACN-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(F)c2Br)n1
InChIInChI=1S/C11H9BrFN3S/c1-7-6-17-11(15-7)16-14-5-8-3-2-4-9(13)10(8)12/h2-6H,1H3,(H,15,16)
InChIKeyGDXBFDGUBFLPQM-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.80
Rot. Bonds3

About N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168616988) has the molecular formula C11H9BrFN3S and a molecular weight of 314.18 g/mol. Its IUPAC name is N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168616988
Molecular FormulaC11H9BrFN3S
Molecular Weight314.18 g/mol
Exact Mass312.97
IUPAC NameN-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(F)c2Br)n1
InChIInChI=1S/C11H9BrFN3S/c1-7-6-17-11(15-7)16-14-5-8-3-2-4-9(13)10(8)12/h2-6H,1H3,(H,15,16)
InChIKeyGDXBFDGUBFLPQM-UHFFFAOYSA-N
XLogP3.80
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619609
N-[(2-bromo-4-fluoro-5-methylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618021
N-[(4-bromo-3-chloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619608
N-[(3-bromo-4-fluoro-2,6-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619430
3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168619710
2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168616860
N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619252
N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617225
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618475
N-[(5-ethynyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619478
N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7231876
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168616988) is N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2cccc(F)c2Br)n1.
What is the InChIKey of N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GDXBFDGUBFLPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3S/c1-7-6-17-11(15-7)16-14-5-8-3-2-4-9(13)10(8)12/h2-6H,1H3,(H,15,16).
What are the key properties of N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 314.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168616988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).