2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide

C10H12N4O2S — CID 63580414

IUPAC2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCn1ccnc1SCc1occc1C(=O)NN
InChIInChI=1S/C10H12N4O2S/c1-14-4-3-12-10(14)17-6-8-7(2-5-16-8)9(15)13-11/h2-5H,6,11H2,1H3,(H,13,15)
InChIKeyUZLMNLYONUQARQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.91
Rot. Bonds4

About 2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide

2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 63580414) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID63580414
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCn1ccnc1SCc1occc1C(=O)NN
InChIInChI=1S/C10H12N4O2S/c1-14-4-3-12-10(14)17-6-8-7(2-5-16-8)9(15)13-11/h2-5H,6,11H2,1H3,(H,13,15)
InChIKeyUZLMNLYONUQARQ-UHFFFAOYSA-N
XLogP0.91
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.91
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 2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide (CID 63580414) is 2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide is Cn1ccnc1SCc1occc1C(=O)NN.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is UZLMNLYONUQARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-14-4-3-12-10(14)17-6-8-7(2-5-16-8)9(15)13-11/h2-5H,6,11H2,1H3,(H,13,15).
What are the key properties of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide?
2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 252.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63580414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).