2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide

C15H18BrN3OS — CID 105351841

IUPAC2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide
SMILESCN(Cc1ccc(CC(=O)NN)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C15H18BrN3OS/c1-19(9-14-7-13(16)10-21-14)8-12-4-2-11(3-5-12)6-15(20)18-17/h2-5,7,10H,6,8-9,17H2,1H3,(H,18,20)
InChIKeyAOEXGMUYRPFNHS-UHFFFAOYSA-N
MW368.30 g/mol
LogP2.67
Rot. Bonds6

About 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide

2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide (PubChem CID 105351841) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide
PubChem CID105351841
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC Name2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide
SMILESCN(Cc1ccc(CC(=O)NN)cc1)Cc1cc(Br)cs1
InChIInChI=1S/C15H18BrN3OS/c1-19(9-14-7-13(16)10-21-14)8-12-4-2-11(3-5-12)6-15(20)18-17/h2-5,7,10H,6,8-9,17H2,1H3,(H,18,20)
InChIKeyAOEXGMUYRPFNHS-UHFFFAOYSA-N
XLogP2.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide with MolForge

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458325
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorobenzoic acid
CID 106699183
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide
CID 63584163
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026055
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
CID 105351919
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199
[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine
CID 107878267
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluoroaniline
CID 63189170
methyl 2-[2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetate
CID 115462733
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-3-methylbenzoic acid
CID 114485449
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine
CID 105347344

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide (CID 105351841) is 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide is CN(Cc1ccc(CC(=O)NN)cc1)Cc1cc(Br)cs1.
What is the InChIKey of 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide?
The InChIKey is AOEXGMUYRPFNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-19(9-14-7-13(16)10-21-14)8-12-4-2-11(3-5-12)6-15(20)18-17/h2-5,7,10H,6,8-9,17H2,1H3,(H,18,20).
What are the key properties of 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide?
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide has a molecular weight of 368.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).