[5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine

C10H11BrN4OS — CID 82831907

IUPAC[5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COCc2ccc(Br)cc2)s1
InChIInChI=1S/C10H11BrN4OS/c11-8-3-1-7(2-4-8)5-16-6-9-14-15-10(13-12)17-9/h1-4H,5-6,12H2,(H,13,15)
InChIKeyNKPNBHQLNNSMLY-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.30
Rot. Bonds5

About [5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 82831907) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is [5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID82831907
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name[5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COCc2ccc(Br)cc2)s1
InChIInChI=1S/C10H11BrN4OS/c11-8-3-1-7(2-4-8)5-16-6-9-14-15-10(13-12)17-9/h1-4H,5-6,12H2,(H,13,15)
InChIKeyNKPNBHQLNNSMLY-UHFFFAOYSA-N
XLogP2.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.30
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

[5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614106
[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613604
[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613805
N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608751
[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614512
5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 82832131
[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613610
[5-[(3-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613704
[5-[(4-chloro-2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614010
[5-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614326
2-[(4-bromophenyl)methoxy]acetamide
CID 82831352
N-[1-(4-bromophenyl)propan-2-yl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 114081271

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 82831907) is [5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(COCc2ccc(Br)cc2)s1.
What is the InChIKey of [5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is NKPNBHQLNNSMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c11-8-3-1-7(2-4-8)5-16-6-9-14-15-10(13-12)17-9/h1-4H,5-6,12H2,(H,13,15).
What are the key properties of [5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 315.20 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 82831907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).