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

C12H16N4OS — CID 63577211

IUPAC5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCC(C)c1nccn1Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C12H16N4OS/c1-8(2)11-14-5-6-16(11)7-9-3-4-10(18-9)12(17)15-13/h3-6,8H,7,13H2,1-2H3,(H,15,17)
InChIKeyYVXALKMKGPHSMR-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.72
Rot. Bonds4

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

5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63577211) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63577211
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCC(C)c1nccn1Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C12H16N4OS/c1-8(2)11-14-5-6-16(11)7-9-3-4-10(18-9)12(17)15-13/h3-6,8H,7,13H2,1-2H3,(H,15,17)
InChIKeyYVXALKMKGPHSMR-UHFFFAOYSA-N
XLogP1.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.72
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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Related Compounds

5-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 80582932
5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 55212892
5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55249100
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579908
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
5-[(6-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63795798
5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580775
5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 112595889
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63578955
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 103358731
2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
CID 113314417
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 86785368

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide (CID 63577211) is 5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide is CC(C)c1nccn1Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is YVXALKMKGPHSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(2)11-14-5-6-16(11)7-9-3-4-10(18-9)12(17)15-13/h3-6,8H,7,13H2,1-2H3,(H,15,17).
What are the key properties of 5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide?
5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 264.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63577211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).