2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide

C9H10N6OS2 — CID 114199363

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1cccnc1CSc1nnc(N)s1
InChIInChI=1S/C9H10N6OS2/c10-8-14-15-9(18-8)17-4-6-5(7(16)13-11)2-1-3-12-6/h1-3H,4,11H2,(H2,10,14)(H,13,16)
InChIKeyUOLKWJVXOKWTJI-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.41
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide (PubChem CID 114199363) has the molecular formula C9H10N6OS2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide
PubChem CID114199363
Molecular FormulaC9H10N6OS2
Molecular Weight282.35 g/mol
Exact Mass282.04
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1cccnc1CSc1nnc(N)s1
InChIInChI=1S/C9H10N6OS2/c10-8-14-15-9(18-8)17-4-6-5(7(16)13-11)2-1-3-12-6/h1-3H,4,11H2,(H2,10,14)(H,13,16)
InChIKeyUOLKWJVXOKWTJI-UHFFFAOYSA-N
XLogP0.41
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide (CID 114199363) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide is NNC(=O)c1cccnc1CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide?
The InChIKey is UOLKWJVXOKWTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS2/c10-8-14-15-9(18-8)17-4-6-5(7(16)13-11)2-1-3-12-6/h1-3H,4,11H2,(H2,10,14)(H,13,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide has a molecular weight of 282.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 114199363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).