N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C18H16BrN3OS — CID 168618103

IUPACN-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccccc2OCc2ccc(Br)cc2)n1
InChIInChI=1S/C18H16BrN3OS/c1-13-12-24-18(21-13)22-20-10-15-4-2-3-5-17(15)23-11-14-6-8-16(19)9-7-14/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyNSEYVYXCXYJCPV-UHFFFAOYSA-N
MW402.32 g/mol
LogP5.24
Rot. Bonds6

About N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168618103) has the molecular formula C18H16BrN3OS and a molecular weight of 402.32 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168618103
Molecular FormulaC18H16BrN3OS
Molecular Weight402.32 g/mol
Exact Mass401.02
IUPAC NameN-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccccc2OCc2ccc(Br)cc2)n1
InChIInChI=1S/C18H16BrN3OS/c1-13-12-24-18(21-13)22-20-10-15-4-2-3-5-17(15)23-11-14-6-8-16(19)9-7-14/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyNSEYVYXCXYJCPV-UHFFFAOYSA-N
XLogP5.24
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.32
LogP ≤ 55.24
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

N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7231876
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 3555583
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776
4-methyl-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170462
4-methyl-N-[(Z)-(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42421877
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7346400
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618475
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
2-N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627205
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618121
N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 42337280
N-[[2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618453

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168618103) is N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccccc2OCc2ccc(Br)cc2)n1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is NSEYVYXCXYJCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3OS/c1-13-12-24-18(21-13)22-20-10-15-4-2-3-5-17(15)23-11-14-6-8-16(19)9-7-14/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 402.32 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168618103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).