N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C19H18BrN3O2S — CID 168617598

IUPACN-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(C=NNc2nc(C)cs2)cc1COc1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O2S/c1-13-12-26-19(22-13)23-21-10-14-3-8-18(24-2)15(9-14)11-25-17-6-4-16(20)5-7-17/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyBLRNNPRHCYHYLI-UHFFFAOYSA-N
MW432.34 g/mol
LogP5.25
Rot. Bonds7

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

N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617598) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617598
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC NameN-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(C=NNc2nc(C)cs2)cc1COc1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3O2S/c1-13-12-26-19(22-13)23-21-10-14-3-8-18(24-2)15(9-14)11-25-17-6-4-16(20)5-7-17/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyBLRNNPRHCYHYLI-UHFFFAOYSA-N
XLogP5.25
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.34
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617609
N-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579506
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7346400
N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576858
2-N-[[4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626338
ethyl 2-[2-[2-[[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623404
ethyl 2-[2-[2-[[4-methoxy-3-(phenoxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623394
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 40548174
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618550
N-[(4-hexoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617952
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 71950877
2-N-[[3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626534

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617598) is N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is COc1ccc(C=NNc2nc(C)cs2)cc1COc1ccc(Br)cc1.
What is the InChIKey of N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is BLRNNPRHCYHYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c1-13-12-26-19(22-13)23-21-10-14-3-8-18(24-2)15(9-14)11-25-17-6-4-16(20)5-7-17/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 432.34 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).