[3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine

C12H18N4S — CID 105340288

IUPAC[3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine
SMILESCc1ccc(C(CCc2nccn2C)NN)s1
InChIInChI=1S/C12H18N4S/c1-9-3-5-11(17-9)10(15-13)4-6-12-14-7-8-16(12)2/h3,5,7-8,10,15H,4,6,13H2,1-2H3
InChIKeyBLPZSCCLKPHUQF-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.93
Rot. Bonds5

About [3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine

[3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine (PubChem CID 105340288) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is [3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine
PubChem CID105340288
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name[3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine
SMILESCc1ccc(C(CCc2nccn2C)NN)s1
InChIInChI=1S/C12H18N4S/c1-9-3-5-11(17-9)10(15-13)4-6-12-14-7-8-16(12)2/h3,5,7-8,10,15H,4,6,13H2,1-2H3
InChIKeyBLPZSCCLKPHUQF-UHFFFAOYSA-N
XLogP1.93
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine?
The IUPAC name of [3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine (CID 105340288) is [3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine.
What is the SMILES notation for [3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine?
The canonical SMILES for [3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine is Cc1ccc(C(CCc2nccn2C)NN)s1.
What is the InChIKey of [3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine?
The InChIKey is BLPZSCCLKPHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9-3-5-11(17-9)10(15-13)4-6-12-14-7-8-16(12)2/h3,5,7-8,10,15H,4,6,13H2,1-2H3.
What are the key properties of [3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine?
[3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine has a molecular weight of 250.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylimidazol-2-yl)-1-(5-methylthiophen-2-yl)propyl]hydrazine is sourced from PubChem (CID 105340288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).