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

C11H12N4OS2 — CID 63641118

IUPAC3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CSc1ccncc1N
InChIInChI=1S/C11H12N4OS2/c12-8-5-14-3-1-9(8)18-6-7-2-4-17-10(7)11(16)15-13/h1-5H,6,12-13H2,(H,15,16)
InChIKeyXRJGCQTTYZGJLY-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.62
Rot. Bonds4

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

3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide (PubChem CID 63641118) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide
PubChem CID63641118
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1CSc1ccncc1N
InChIInChI=1S/C11H12N4OS2/c12-8-5-14-3-1-9(8)18-6-7-2-4-17-10(7)11(16)15-13/h1-5H,6,12-13H2,(H,15,16)
InChIKeyXRJGCQTTYZGJLY-UHFFFAOYSA-N
XLogP1.62
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.62
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-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79141449
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63639235
methyl 2-[2-[(3-amino-4-pyridinyl)sulfanylmethyl]phenyl]acetate
CID 115460918
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63639574
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carbohydrazide
CID 63736840
3-(2-aminoethylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640947
3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 79671984
4-[(3-amino-4-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 61319868
N-[2-[(3-amino-4-pyridinyl)sulfanylmethyl]phenyl]-3,5-dimethoxybenzamide
CID 143409221
3-(2-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66231446
3-(3-aminobutylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66232584

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide (CID 63641118) is 3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1CSc1ccncc1N.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide?
The InChIKey is XRJGCQTTYZGJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c12-8-5-14-3-1-9(8)18-6-7-2-4-17-10(7)11(16)15-13/h1-5H,6,12-13H2,(H,15,16).
What are the key properties of 3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide?
3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide has a molecular weight of 280.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-pyridinyl)sulfanylmethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63641118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).