2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide

C11H14N4OS — CID 63582623

IUPAC2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
SMILESCC(Cn1ccnc1-c1cccs1)C(=O)NN
InChIInChI=1S/C11H14N4OS/c1-8(11(16)14-12)7-15-5-4-13-10(15)9-3-2-6-17-9/h2-6,8H,7,12H2,1H3,(H,14,16)
InChIKeyYYHKWSNTXBCYSV-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide

2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide (PubChem CID 63582623) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
PubChem CID63582623
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
SMILESCC(Cn1ccnc1-c1cccs1)C(=O)NN
InChIInChI=1S/C11H14N4OS/c1-8(11(16)14-12)7-15-5-4-13-10(15)9-3-2-6-17-9/h2-6,8H,7,12H2,1H3,(H,14,16)
InChIKeyYYHKWSNTXBCYSV-UHFFFAOYSA-N
XLogP1.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide?
The IUPAC name of 2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide (CID 63582623) is 2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide?
The canonical SMILES for 2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide is CC(Cn1ccnc1-c1cccs1)C(=O)NN.
What is the InChIKey of 2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide?
The InChIKey is YYHKWSNTXBCYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8(11(16)14-12)7-15-5-4-13-10(15)9-3-2-6-17-9/h2-6,8H,7,12H2,1H3,(H,14,16).
What are the key properties of 2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide?
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide has a molecular weight of 250.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide is sourced from PubChem (CID 63582623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).