5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide

C12H14N4O2S — CID 55212151

IUPAC5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CSc2ncccc2N)cc1C(=O)NN
InChIInChI=1S/C12H14N4O2S/c1-7-9(11(17)16-14)5-8(18-7)6-19-12-10(13)3-2-4-15-12/h2-5H,6,13-14H2,1H3,(H,16,17)
InChIKeyUWIYEJIEMHAGCH-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.46
Rot. Bonds4

About 5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide

5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide (PubChem CID 55212151) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
PubChem CID55212151
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CSc2ncccc2N)cc1C(=O)NN
InChIInChI=1S/C12H14N4O2S/c1-7-9(11(17)16-14)5-8(18-7)6-19-12-10(13)3-2-4-15-12/h2-5H,6,13-14H2,1H3,(H,16,17)
InChIKeyUWIYEJIEMHAGCH-UHFFFAOYSA-N
XLogP1.46
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.46
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 5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide (CID 55212151) is 5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide is Cc1oc(CSc2ncccc2N)cc1C(=O)NN.
What is the InChIKey of 5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is UWIYEJIEMHAGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-9(11(17)16-14)5-8(18-7)6-19-12-10(13)3-2-4-15-12/h2-5H,6,13-14H2,1H3,(H,16,17).
What are the key properties of 5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide?
5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 278.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 55212151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).