N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C23H17Br2N3OS — CID 168578373

IUPACN-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESBrc1cc(Br)c(OCc2ccccc2)c(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C23H17Br2N3OS/c24-19-11-18(22(20(25)12-19)29-14-16-7-3-1-4-8-16)13-26-28-23-27-21(15-30-23)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,27,28)
InChIKeyMHZKZXNJPHDGFI-UHFFFAOYSA-N
MW543.28 g/mol
LogP7.36
Rot. Bonds7

About N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168578373) has the molecular formula C23H17Br2N3OS and a molecular weight of 543.28 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168578373
Molecular FormulaC23H17Br2N3OS
Molecular Weight543.28 g/mol
Exact Mass540.95
IUPAC NameN-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESBrc1cc(Br)c(OCc2ccccc2)c(C=NNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C23H17Br2N3OS/c24-19-11-18(22(20(25)12-19)29-14-16-7-3-1-4-8-16)13-26-28-23-27-21(15-30-23)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,27,28)
InChIKeyMHZKZXNJPHDGFI-UHFFFAOYSA-N
XLogP7.36
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.28
LogP ≤ 57.36
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-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578424
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
N-benzyl-2-[4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168578353
4-bromo-2,3-dimethoxy-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577493
2-[4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 168576917
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578469
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578768
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578465
N-[(4-bromo-3-chlorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579281
5-bromo-2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577337
N-[[3-methoxy-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578782

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168578373) is N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Brc1cc(Br)c(OCc2ccccc2)c(C=NNc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is MHZKZXNJPHDGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Br2N3OS/c24-19-11-18(22(20(25)12-19)29-14-16-7-3-1-4-8-16)13-26-28-23-27-21(15-30-23)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,27,28).
What are the key properties of N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 543.28 g/mol, XLogP of 7.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168578373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).