N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine

C18H16BrN3S — CID 110533320

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3ccc(Br)cc3)n2)c(C)c1
InChIInChI=1S/C18H16BrN3S/c1-12-3-8-16(13(2)9-12)17-11-23-18(21-17)22-20-10-14-4-6-15(19)7-5-14/h3-11H,1-2H3,(H,21,22)/b20-10-
InChIKeyRAYCDOXYFFKALM-JMIUGGIZSA-N
MW386.32 g/mol
LogP5.64
Rot. Bonds4

About N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine

N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 110533320) has the molecular formula C18H16BrN3S and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID110533320
Molecular FormulaC18H16BrN3S
Molecular Weight386.32 g/mol
Exact Mass385.02
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3ccc(Br)cc3)n2)c(C)c1
InChIInChI=1S/C18H16BrN3S/c1-12-3-8-16(13(2)9-12)17-11-23-18(21-17)22-20-10-14-4-6-15(19)7-5-14/h3-11H,1-2H3,(H,21,22)/b20-10-
InChIKeyRAYCDOXYFFKALM-JMIUGGIZSA-N
XLogP5.64
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 55.64
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

4-(2,4-dimethylphenyl)-N-[(E)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine bromide
CID 21203586
4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110538193
3-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110537464
N-[(Z)-(4-bromophenyl)methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110533321
4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 136822056
4-(2,4-dimethylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110537943
4-(2,4-dimethylphenyl)-N-[(Z)-(3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534703
4-(2,4-dimethylphenyl)-N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110529730
N-[(E)-benzylideneamino]-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11393768
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110530035
4-(4-bromophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 22308276

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine (CID 110533320) is N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(N/N=C\c3ccc(Br)cc3)n2)c(C)c1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is RAYCDOXYFFKALM-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H16BrN3S/c1-12-3-8-16(13(2)9-12)17-11-23-18(21-17)22-20-10-14-4-6-15(19)7-5-14/h3-11H,1-2H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 386.32 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110533320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).