[(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine

C12H12N4OS — CID 105338371

IUPAC[(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine
SMILESCc1cccc2cc(C(NN)c3csnn3)oc12
InChIInChI=1S/C12H12N4OS/c1-7-3-2-4-8-5-10(17-12(7)8)11(14-13)9-6-18-16-15-9/h2-6,11,14H,13H2,1H3
InChIKeyGSTQPUHOULZFRV-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.15
Rot. Bonds3

About [(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine

[(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine (PubChem CID 105338371) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is [(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine
PubChem CID105338371
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine
SMILESCc1cccc2cc(C(NN)c3csnn3)oc12
InChIInChI=1S/C12H12N4OS/c1-7-3-2-4-8-5-10(17-12(7)8)11(14-13)9-6-18-16-15-9/h2-6,11,14H,13H2,1H3
InChIKeyGSTQPUHOULZFRV-UHFFFAOYSA-N
XLogP2.15
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[(6-methoxypyridazin-3-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 103375494
[(7-methyl-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methyl]hydrazine
CID 114023468
[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196376
N-[(7-chloro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105186991
[(7-methyl-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105268934
[(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338351
[naphthalen-1-yl(thiadiazol-4-yl)methyl]hydrazine
CID 105301211
[(3,5-dichloro-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105248604
[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338360
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185509
N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105185529
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185488

Frequently Asked Questions

What is the IUPAC name of [(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine?
The IUPAC name of [(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine (CID 105338371) is [(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine is Cc1cccc2cc(C(NN)c3csnn3)oc12.
What is the InChIKey of [(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine?
The InChIKey is GSTQPUHOULZFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7-3-2-4-8-5-10(17-12(7)8)11(14-13)9-6-18-16-15-9/h2-6,11,14H,13H2,1H3.
What are the key properties of [(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine?
[(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine has a molecular weight of 260.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-methyl-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105338371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).