[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine

C12H19BrN6OS — CID 105337391

IUPAC[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1snnc1C(C)C
InChIInChI=1S/C12H19BrN6OS/c1-7(2)9-12(21-18-17-9)10(16-14)11-8(13)6-15-19(11)4-5-20-3/h6-7,10,16H,4-5,14H2,1-3H3
InChIKeyLOLNETKRMPQEDI-UHFFFAOYSA-N
MW375.30 g/mol
LogP1.82
Rot. Bonds7

About [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine

[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine (PubChem CID 105337391) has the molecular formula C12H19BrN6OS and a molecular weight of 375.30 g/mol. Its IUPAC name is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
PubChem CID105337391
Molecular FormulaC12H19BrN6OS
Molecular Weight375.30 g/mol
Exact Mass374.05
IUPAC Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1snnc1C(C)C
InChIInChI=1S/C12H19BrN6OS/c1-7(2)9-12(21-18-17-9)10(16-14)11-8(13)6-15-19(11)4-5-20-3/h6-7,10,16H,4-5,14H2,1-3H3
InChIKeyLOLNETKRMPQEDI-UHFFFAOYSA-N
XLogP1.82
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105337332
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methyl]hydrazine
CID 105200540
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine
CID 105190947
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]hydrazine
CID 105221413
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 105337364
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methyl]hydrazine
CID 105337323
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine
CID 105337275
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methyl]hydrazine
CID 105337265
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine
CID 103445650
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine
CID 105207669
[(2-bromo-3-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105337306
[(4-bromo-2-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105281020

Frequently Asked Questions

What is the IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine?
The IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine (CID 105337391) is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine?
The canonical SMILES for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine is COCCn1ncc(Br)c1C(NN)c1snnc1C(C)C.
What is the InChIKey of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine?
The InChIKey is LOLNETKRMPQEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN6OS/c1-7(2)9-12(21-18-17-9)10(16-14)11-8(13)6-15-19(11)4-5-20-3/h6-7,10,16H,4-5,14H2,1-3H3.
What are the key properties of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine?
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine has a molecular weight of 375.30 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105337391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).