4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide

C14H13BrN2O3S — CID 12969335

IUPAC4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Br)c(C)s2)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-8-11(15)7-12(21-8)14(19)17-16-13(18)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyYHOIFOBPFWXFKU-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.90
Rot. Bonds3

About 4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide

4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide (PubChem CID 12969335) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide
PubChem CID12969335
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Br)c(C)s2)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-8-11(15)7-12(21-8)14(19)17-16-13(18)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyYHOIFOBPFWXFKU-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.90
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

4-methoxy-N'-(2-thienylacetyl)benzohydrazide
CID 748727
N'-[2-(2-methoxyphenyl)acetyl]thiophene-2-carbohydrazide
CID 809222
5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide
CID 4788528
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 969141
(E)-N-[[(4-methoxybenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 1933036
4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
CID 4795334
N-[[(4-methoxybenzoyl)amino]carbamothioyl]thiophene-2-carboxamide
CID 1933044
4-methoxy-N'-[(phenylthio)acetyl]benzohydrazide
CID 2958278
N'-[3-(2-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 4790874
N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 4795171
[2-[2-(4-Methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 8195133
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophenecarbohydrazide
CID 687575

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide (CID 12969335) is 4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2cc(Br)c(C)s2)cc1.
What is the InChIKey of 4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide?
The InChIKey is YHOIFOBPFWXFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-8-11(15)7-12(21-8)14(19)17-16-13(18)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide?
4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide has a molecular weight of 369.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(4-methoxybenzoyl)-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 12969335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).