2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide

C11H12N4O2S — CID 63581277

IUPAC2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1ccncc1N
InChIInChI=1S/C11H12N4O2S/c12-8-5-14-3-1-10(8)18-6-9-7(2-4-17-9)11(16)15-13/h1-5H,6,12-13H2,(H,15,16)
InChIKeyYDCGRYDGULRUTA-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.15
Rot. Bonds4

About 2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide

2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 63581277) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID63581277
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1ccncc1N
InChIInChI=1S/C11H12N4O2S/c12-8-5-14-3-1-10(8)18-6-9-7(2-4-17-9)11(16)15-13/h1-5H,6,12-13H2,(H,15,16)
InChIKeyYDCGRYDGULRUTA-UHFFFAOYSA-N
XLogP1.15
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
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-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide (CID 63581277) is 2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1CSc1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is YDCGRYDGULRUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-8-5-14-3-1-10(8)18-6-9-7(2-4-17-9)11(16)15-13/h1-5H,6,12-13H2,(H,15,16).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide?
2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 264.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63581277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).