[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine

C14H13BrN2OS — CID 105322592

IUPAC[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1ccc2oc(C(NN)c3cscc3Br)cc2c1
InChIInChI=1S/C14H13BrN2OS/c1-8-2-3-12-9(4-8)5-13(18-12)14(17-16)10-6-19-7-11(10)15/h2-7,14,17H,16H2,1H3
InChIKeyMZYVVIIPZCVXMR-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.12
Rot. Bonds3

About [(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine

[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105322592) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is [(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105322592
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1ccc2oc(C(NN)c3cscc3Br)cc2c1
InChIInChI=1S/C14H13BrN2OS/c1-8-2-3-12-9(4-8)5-13(18-12)14(17-16)10-6-19-7-11(10)15/h2-7,14,17H,16H2,1H3
InChIKeyMZYVVIIPZCVXMR-UHFFFAOYSA-N
XLogP4.12
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(5-methyl-1-benzofuran-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313231
[(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methyl]hydrazine
CID 105322667
[(4-bromo-3-chlorophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338291
[(2,5-dichlorothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107970618
N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 114730144
[(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105211506
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203566
[(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107504847
[2-(3-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105299502
[(5-fluoro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methyl]hydrazine
CID 105338645
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine (CID 105322592) is [(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine is Cc1ccc2oc(C(NN)c3cscc3Br)cc2c1.
What is the InChIKey of [(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is MZYVVIIPZCVXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-8-2-3-12-9(4-8)5-13(18-12)14(17-16)10-6-19-7-11(10)15/h2-7,14,17H,16H2,1H3.
What are the key properties of [(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine?
[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 337.24 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105322592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).