N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H16BrN3O3S — CID 9463664

IUPACN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)Cc2csc(C)n2)cc1OC
InChIInChI=1S/C15H16BrN3O3S/c1-9-18-11(8-23-9)5-15(20)19-17-7-10-4-13(21-2)14(22-3)6-12(10)16/h4,6-8H,5H2,1-3H3,(H,19,20)/b17-7-
InChIKeyHNGADTLZJPVIAY-IDUWFGFVSA-N
MW398.28 g/mol
LogP2.92
Rot. Bonds6

About N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9463664) has the molecular formula C15H16BrN3O3S and a molecular weight of 398.28 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9463664
Molecular FormulaC15H16BrN3O3S
Molecular Weight398.28 g/mol
Exact Mass397.01
IUPAC NameN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)Cc2csc(C)n2)cc1OC
InChIInChI=1S/C15H16BrN3O3S/c1-9-18-11(8-23-9)5-15(20)19-17-7-10-4-13(21-2)14(22-3)6-12(10)16/h4,6-8H,5H2,1-3H3,(H,19,20)/b17-7-
InChIKeyHNGADTLZJPVIAY-IDUWFGFVSA-N
XLogP2.92
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 52.92
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-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4531211
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4843582
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463662
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463667
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463693
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 8826639
N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463801
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4007901
[2-methoxy-4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 4680207
N-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9464092
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6069223
N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5106080

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9463664) is N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is COc1cc(Br)c(/C=N\NC(=O)Cc2csc(C)n2)cc1OC.
What is the InChIKey of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HNGADTLZJPVIAY-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H16BrN3O3S/c1-9-18-11(8-23-9)5-15(20)19-17-7-10-4-13(21-2)14(22-3)6-12(10)16/h4,6-8H,5H2,1-3H3,(H,19,20)/b17-7-.
What are the key properties of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 398.28 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9463664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).