[(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine

C7H7BrN4S2 — CID 105327833

IUPAC[(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine
SMILESNNC(c1csnn1)c1sccc1Br
InChIInChI=1S/C7H7BrN4S2/c8-4-1-2-13-7(4)6(10-9)5-3-14-12-11-5/h1-3,6,10H,9H2
InChIKeyATIYEOZYDWTAAW-UHFFFAOYSA-N
MW291.20 g/mol
LogP1.91
Rot. Bonds3

About [(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine

[(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine (PubChem CID 105327833) has the molecular formula C7H7BrN4S2 and a molecular weight of 291.20 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine
PubChem CID105327833
Molecular FormulaC7H7BrN4S2
Molecular Weight291.20 g/mol
Exact Mass289.93
IUPAC Name[(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine
SMILESNNC(c1csnn1)c1sccc1Br
InChIInChI=1S/C7H7BrN4S2/c8-4-1-2-13-7(4)6(10-9)5-3-14-12-11-5/h1-3,6,10H,9H2
InChIKeyATIYEOZYDWTAAW-UHFFFAOYSA-N
XLogP1.91
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine (CID 105327833) is [(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine is NNC(c1csnn1)c1sccc1Br.
What is the InChIKey of [(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine?
The InChIKey is ATIYEOZYDWTAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4S2/c8-4-1-2-13-7(4)6(10-9)5-3-14-12-11-5/h1-3,6,10H,9H2.
What are the key properties of [(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine?
[(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine has a molecular weight of 291.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)-(thiadiazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105327833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).