5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide

C11H13N3OS — CID 2341869

IUPAC5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NN)s1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-8(2)14(7)10-6-5-9(16-10)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKeyXMPPFFMSMLLXOG-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.76
Rot. Bonds2

About 5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide

5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide (PubChem CID 2341869) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide
PubChem CID2341869
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NN)s1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-8(2)14(7)10-6-5-9(16-10)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKeyXMPPFFMSMLLXOG-UHFFFAOYSA-N
XLogP1.76
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide (CID 2341869) is 5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide is Cc1ccc(C)n1-c1ccc(C(=O)NN)s1.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide?
The InChIKey is XMPPFFMSMLLXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-3-4-8(2)14(7)10-6-5-9(16-10)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15).
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide?
5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide has a molecular weight of 235.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2341869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).