2-(1-methylimidazol-2-yl)sulfanylacetohydrazide

C6H10N4OS — CID 63580041

IUPAC2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
SMILESCn1ccnc1SCC(=O)NN
InChIInChI=1S/C6H10N4OS/c1-10-3-2-8-6(10)12-4-5(11)9-7/h2-3H,4,7H2,1H3,(H,9,11)
InChIKeyCXAFPLZNUGUUEH-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.50
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)sulfanylacetohydrazide

2-(1-methylimidazol-2-yl)sulfanylacetohydrazide (PubChem CID 63580041) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
PubChem CID63580041
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
SMILESCn1ccnc1SCC(=O)NN
InChIInChI=1S/C6H10N4OS/c1-10-3-2-8-6(10)12-4-5(11)9-7/h2-3H,4,7H2,1H3,(H,9,11)
InChIKeyCXAFPLZNUGUUEH-UHFFFAOYSA-N
XLogP-0.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.50
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

4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 28699058
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441
N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 15944403
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 581967
5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580775
N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 17234223
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 670611
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40704801

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanylacetohydrazide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanylacetohydrazide (CID 63580041) is 2-(1-methylimidazol-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanylacetohydrazide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanylacetohydrazide is Cn1ccnc1SCC(=O)NN.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanylacetohydrazide?
The InChIKey is CXAFPLZNUGUUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-10-3-2-8-6(10)12-4-5(11)9-7/h2-3H,4,7H2,1H3,(H,9,11).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanylacetohydrazide?
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide has a molecular weight of 186.24 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 63580041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).