5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide

C12H14N4O2S — CID 63591336

IUPAC5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CSc2ccc(N)nc2)oc1C(=O)NN
InChIInChI=1S/C12H14N4O2S/c1-7-4-8(18-11(7)12(17)16-14)6-19-9-2-3-10(13)15-5-9/h2-5H,6,14H2,1H3,(H2,13,15)(H,16,17)
InChIKeyUQVHAXUHLIJFRI-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.46
Rot. Bonds4

About 5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide

5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63591336) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
PubChem CID63591336
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CSc2ccc(N)nc2)oc1C(=O)NN
InChIInChI=1S/C12H14N4O2S/c1-7-4-8(18-11(7)12(17)16-14)6-19-9-2-3-10(13)15-5-9/h2-5H,6,14H2,1H3,(H2,13,15)(H,16,17)
InChIKeyUQVHAXUHLIJFRI-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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Related Compounds

3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide
CID 63580250
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581971
5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63589938
4-[(6-amino-3-pyridinyl)sulfanylmethyl]benzohydrazide
CID 63590631
5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63581648
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide
CID 114234633
3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide
CID 107760942
2-[4-[(6-amino-3-pyridinyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352452
methyl 3-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]propanoate
CID 63581586
5-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-3-carboxylic acid
CID 62267988
3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459175

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide (CID 63591336) is 5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide is Cc1cc(CSc2ccc(N)nc2)oc1C(=O)NN.
What is the InChIKey of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is UQVHAXUHLIJFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-4-8(18-11(7)12(17)16-14)6-19-9-2-3-10(13)15-5-9/h2-5H,6,14H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide?
5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-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-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63591336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).