5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide

C10H12N4OS2 — CID 63580775

IUPAC5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCn1ccnc1SCc1ccc(C(=O)NN)s1
InChIInChI=1S/C10H12N4OS2/c1-14-5-4-12-10(14)16-6-7-2-3-8(17-7)9(15)13-11/h2-5H,6,11H2,1H3,(H,13,15)
InChIKeyXATCDAGHBOFGDH-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.38
Rot. Bonds4

About 5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide

5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide (PubChem CID 63580775) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
PubChem CID63580775
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCn1ccnc1SCc1ccc(C(=O)NN)s1
InChIInChI=1S/C10H12N4OS2/c1-14-5-4-12-10(14)16-6-7-2-3-8(17-7)9(15)13-11/h2-5H,6,11H2,1H3,(H,13,15)
InChIKeyXATCDAGHBOFGDH-UHFFFAOYSA-N
XLogP1.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.38
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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Related Compounds

2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
5-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63582352
5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
CID 107782850
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580957
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580407
5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 55212321
methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
CID 63580305
5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577211
hydrazinyl 3-(1-methylimidazol-2-yl)sulfanylpropanoate
CID 66339169
5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79147042
1-[2-(1-methylimidazol-2-yl)sulfanylethyl]triazole-4-carbohydrazide
CID 63581139
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzamide
CID 1028269

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide (CID 63580775) is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide is Cn1ccnc1SCc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The InChIKey is XATCDAGHBOFGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-14-5-4-12-10(14)16-6-7-2-3-8(17-7)9(15)13-11/h2-5H,6,11H2,1H3,(H,13,15).
What are the key properties of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide has a molecular weight of 268.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63580775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).