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

C11H9BrIN3S — CID 168619609

IUPACN-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(I)c2Br)n1
InChIInChI=1S/C11H9BrIN3S/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)
InChIKeyCHGYDAICVKFZFY-UHFFFAOYSA-N
MW422.09 g/mol
LogP4.26
Rot. Bonds3

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

N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168619609) has the molecular formula C11H9BrIN3S and a molecular weight of 422.09 g/mol. Its IUPAC name is N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168619609
Molecular FormulaC11H9BrIN3S
Molecular Weight422.09 g/mol
Exact Mass420.87
IUPAC NameN-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(I)c2Br)n1
InChIInChI=1S/C11H9BrIN3S/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)
InChIKeyCHGYDAICVKFZFY-UHFFFAOYSA-N
XLogP4.26
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.09
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616988
4-iodo-3-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168618025
2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168616860
N-[[2-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619493
N-[(4-bromo-3-chloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619608
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618080
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618103
N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 74170624
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905
N-[(2-bromo-4-fluoro-5-methylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618021
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616851

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168619609) is N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2cccc(I)c2Br)n1.
What is the InChIKey of N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is CHGYDAICVKFZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrIN3S/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-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 422.09 g/mol, XLogP of 4.26, 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-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168619609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).