N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide

C14H13BrN2OS — CID 2207905

IUPACN'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide
SMILESC=C(NNC(=O)Cc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C14H13BrN2OS/c1-10(12-7-8-13(15)19-12)16-17-14(18)9-11-5-3-2-4-6-11/h2-8,16H,1,9H2,(H,17,18)
InChIKeyCOPWWCHNPLCRDN-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.34
Rot. Bonds5

About N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide

N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide (PubChem CID 2207905) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide
PubChem CID2207905
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC NameN'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide
SMILESC=C(NNC(=O)Cc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C14H13BrN2OS/c1-10(12-7-8-13(15)19-12)16-17-14(18)9-11-5-3-2-4-6-11/h2-8,16H,1,9H2,(H,17,18)
InChIKeyCOPWWCHNPLCRDN-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide?
The IUPAC name of N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide (CID 2207905) is N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide is C=C(NNC(=O)Cc1ccccc1)c1ccc(Br)s1.
What is the InChIKey of N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide?
The InChIKey is COPWWCHNPLCRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-10(12-7-8-13(15)19-12)16-17-14(18)9-11-5-3-2-4-6-11/h2-8,16H,1,9H2,(H,17,18).
What are the key properties of N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide?
N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide has a molecular weight of 337.24 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-bromothiophen-2-yl)ethenyl]-2-phenylacetohydrazide is sourced from PubChem (CID 2207905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).