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

C12H10BrN3OS — CID 9016496

IUPAC2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
SMILESCc1nc(/C=N\NC(=O)c2ccccc2Br)cs1
InChIInChI=1S/C12H10BrN3OS/c1-8-15-9(7-18-8)6-14-16-12(17)10-4-2-3-5-11(10)13/h2-7H,1H3,(H,16,17)/b14-6-
InChIKeyZOICJLCBHAQURO-NSIKDUERSA-N
MW324.20 g/mol
LogP2.98
Rot. Bonds3

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

2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide (PubChem CID 9016496) has the molecular formula C12H10BrN3OS and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
PubChem CID9016496
Molecular FormulaC12H10BrN3OS
Molecular Weight324.20 g/mol
Exact Mass322.97
IUPAC Name2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
SMILESCc1nc(/C=N\NC(=O)c2ccccc2Br)cs1
InChIInChI=1S/C12H10BrN3OS/c1-8-15-9(7-18-8)6-14-16-12(17)10-4-2-3-5-11(10)13/h2-7H,1H3,(H,16,17)/b14-6-
InChIKeyZOICJLCBHAQURO-NSIKDUERSA-N
XLogP2.98
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 52.98
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-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
CID 9466150
2-bromo-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzamide
CID 9016454
2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
CID 1349987
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
CID 168908017
2-bromo-N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]benzamide
CID 9194750
2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide
CID 3594626
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide
CID 2690759
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
2-bromo-N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]benzamide
CID 3257549
2-bromo-N-[(E)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methylideneamino]benzamide
CID 135447563

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide (CID 9016496) is 2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide is Cc1nc(/C=N\NC(=O)c2ccccc2Br)cs1.
What is the InChIKey of 2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide?
The InChIKey is ZOICJLCBHAQURO-NSIKDUERSA-N. The full InChI is InChI=1S/C12H10BrN3OS/c1-8-15-9(7-18-8)6-14-16-12(17)10-4-2-3-5-11(10)13/h2-7H,1H3,(H,16,17)/b14-6-.
What are the key properties of 2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide?
2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide has a molecular weight of 324.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 9016496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).