5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide

C9H10N4OS2 — CID 107782850

IUPAC5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSc2ncc[nH]2)s1
InChIInChI=1S/C9H10N4OS2/c10-13-8(14)7-2-1-6(16-7)5-15-9-11-3-4-12-9/h1-4H,5,10H2,(H,11,12)(H,13,14)
InChIKeyRDURBIYNGZZFOW-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.37
Rot. Bonds4

About 5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide

5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide (PubChem CID 107782850) has the molecular formula C9H10N4OS2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
PubChem CID107782850
Molecular FormulaC9H10N4OS2
Molecular Weight254.34 g/mol
Exact Mass254.03
IUPAC Name5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSc2ncc[nH]2)s1
InChIInChI=1S/C9H10N4OS2/c10-13-8(14)7-2-1-6(16-7)5-15-9-11-3-4-12-9/h1-4H,5,10H2,(H,11,12)(H,13,14)
InChIKeyRDURBIYNGZZFOW-UHFFFAOYSA-N
XLogP1.37
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.37
H-Bond Donors ≤ 53
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-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580775
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
3-(1H-imidazol-2-ylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 107782845
5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63582493
5-[(4-methylsulfonylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63590993
5-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63582352
methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
CID 63580305
5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79147042
5-ethyl-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
CID 60967803
5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66216952
5-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55249100

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide (CID 107782850) is 5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide is NNC(=O)c1ccc(CSc2ncc[nH]2)s1.
What is the InChIKey of 5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide?
The InChIKey is RDURBIYNGZZFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS2/c10-13-8(14)7-2-1-6(16-7)5-15-9-11-3-4-12-9/h1-4H,5,10H2,(H,11,12)(H,13,14).
What are the key properties of 5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide?
5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide has a molecular weight of 254.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 107782850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).