5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide

C14H14N4OS2 — CID 80733692

IUPAC5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1Cn1ccnc1-c1cccs1
InChIInChI=1S/C14H14N4OS2/c1-9-10(7-12(21-9)14(19)17-15)8-18-5-4-16-13(18)11-3-2-6-20-11/h2-7H,8,15H2,1H3,(H,17,19)
InChIKeyZWFDPJXRMLCOQC-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.63
Rot. Bonds4

About 5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide

5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 80733692) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID80733692
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1Cn1ccnc1-c1cccs1
InChIInChI=1S/C14H14N4OS2/c1-9-10(7-12(21-9)14(19)17-15)8-18-5-4-16-13(18)11-3-2-6-20-11/h2-7H,8,15H2,1H3,(H,17,19)
InChIKeyZWFDPJXRMLCOQC-UHFFFAOYSA-N
XLogP2.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide (CID 80733692) is 5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1Cn1ccnc1-c1cccs1.
What is the InChIKey of 5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is ZWFDPJXRMLCOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-9-10(7-12(21-9)14(19)17-15)8-18-5-4-16-13(18)11-3-2-6-20-11/h2-7H,8,15H2,1H3,(H,17,19).
What are the key properties of 5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 318.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 80733692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).