[(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine

C12H11BrN2OS — CID 86160838

IUPAC[(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine
SMILESCOc1ccccc1C(=NN)c1sccc1Br
InChIInChI=1S/C12H11BrN2OS/c1-16-10-5-3-2-4-8(10)11(15-14)12-9(13)6-7-17-12/h2-7H,14H2,1H3
InChIKeyVBWNQGJPTRXRGP-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.23
Rot. Bonds3

About [(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine

[(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine (PubChem CID 86160838) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine
PubChem CID86160838
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name[(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine
SMILESCOc1ccccc1C(=NN)c1sccc1Br
InChIInChI=1S/C12H11BrN2OS/c1-16-10-5-3-2-4-8(10)11(15-14)12-9(13)6-7-17-12/h2-7H,14H2,1H3
InChIKeyVBWNQGJPTRXRGP-UHFFFAOYSA-N
XLogP3.23
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanone
CID 80537146
(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 63797545
(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone
CID 79602326
3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16770599
(NE)-N-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
CID 63797635
1-(3-bromothiophen-2-yl)-2-methoxy-2-phenylethanone
CID 116751377
2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one
CID 96896773
(1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81387303
1-bromo-2-methoxybenzene;ethane
CID 91096433

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine (CID 86160838) is [(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine is COc1ccccc1C(=NN)c1sccc1Br.
What is the InChIKey of [(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine?
The InChIKey is VBWNQGJPTRXRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-16-10-5-3-2-4-8(10)11(15-14)12-9(13)6-7-17-12/h2-7H,14H2,1H3.
What are the key properties of [(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine?
[(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine has a molecular weight of 311.20 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)-(2-methoxyphenyl)methylidene]hydrazine is sourced from PubChem (CID 86160838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).