N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide

C13H12BrN3O2S — CID 47097645

IUPACN'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(C)c(C(=O)NNC(=O)c2ccccc2Br)s1
InChIInChI=1S/C13H12BrN3O2S/c1-7-11(20-8(2)15-7)13(19)17-16-12(18)9-5-3-4-6-10(9)14/h3-6H,1-2H3,(H,16,18)(H,17,19)
InChIKeyJBUFBTSHJXPSKL-UHFFFAOYSA-N
MW354.23 g/mol
LogP2.60
Rot. Bonds2

About N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide

N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide (PubChem CID 47097645) has the molecular formula C13H12BrN3O2S and a molecular weight of 354.23 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
PubChem CID47097645
Molecular FormulaC13H12BrN3O2S
Molecular Weight354.23 g/mol
Exact Mass352.98
IUPAC NameN'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(C)c(C(=O)NNC(=O)c2ccccc2Br)s1
InChIInChI=1S/C13H12BrN3O2S/c1-7-11(20-8(2)15-7)13(19)17-16-12(18)9-5-3-4-6-10(9)14/h3-6H,1-2H3,(H,16,18)(H,17,19)
InChIKeyJBUFBTSHJXPSKL-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 115295780
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 2744486
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
N'-(2-bromobenzoyl)-2,5-dichlorothiophene-3-carbohydrazide
CID 27672192
N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 56522837
2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 78775254
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103824607
N'-(2-bromobenzoyl)-2,5-dimethylpyrazole-3-carbohydrazide
CID 87023377

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide (CID 47097645) is N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide is Cc1nc(C)c(C(=O)NNC(=O)c2ccccc2Br)s1.
What is the InChIKey of N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is JBUFBTSHJXPSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2S/c1-7-11(20-8(2)15-7)13(19)17-16-12(18)9-5-3-4-6-10(9)14/h3-6H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide?
N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 354.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 47097645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).