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

C18H16BrN3O2S — CID 110531376

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C\c3ccccc3Br)n2)cc1OC
InChIInChI=1S/C18H16BrN3O2S/c1-23-16-8-7-12(9-17(16)24-2)15-11-25-18(21-15)22-20-10-13-5-3-4-6-14(13)19/h3-11H,1-2H3,(H,21,22)/b20-10-
InChIKeyMXTXWYQWTXLASM-JMIUGGIZSA-N
MW418.32 g/mol
LogP5.04
Rot. Bonds6

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

N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 110531376) has the molecular formula C18H16BrN3O2S and a molecular weight of 418.32 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID110531376
Molecular FormulaC18H16BrN3O2S
Molecular Weight418.32 g/mol
Exact Mass417.01
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C\c3ccccc3Br)n2)cc1OC
InChIInChI=1S/C18H16BrN3O2S/c1-23-16-8-7-12(9-17(16)24-2)15-11-25-18(21-15)22-20-10-13-5-3-4-6-14(13)19/h3-11H,1-2H3,(H,21,22)/b20-10-
InChIKeyMXTXWYQWTXLASM-JMIUGGIZSA-N
XLogP5.04
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.32
LogP ≤ 55.04
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'}

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Related Compounds

N-[[2-(3,4-dimethoxyphenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576815
N-[(4-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 75195114
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531375
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110532002
4-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 1184402
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110531466
4-(3-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536568
4-bromo-2-methoxy-5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 78699323
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579044
N-[(6-bromo-2,3-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576749
4-(3,4-dimethoxyphenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110532079

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 110531376) is N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C\c3ccccc3Br)n2)cc1OC.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is MXTXWYQWTXLASM-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H16BrN3O2S/c1-23-16-8-7-12(9-17(16)24-2)15-11-25-18(21-15)22-20-10-13-5-3-4-6-14(13)19/h3-11H,1-2H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 418.32 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110531376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).