6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide

C9H10N6OS2 — CID 106909660

IUPAC6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CSc2nnc(N)s2)n1
InChIInChI=1S/C9H10N6OS2/c10-8-14-15-9(18-8)17-4-5-2-1-3-6(12-5)7(16)13-11/h1-3H,4,11H2,(H2,10,14)(H,13,16)
InChIKeyWXBXUDUAYDWSTK-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.41
Rot. Bonds4

About 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide

6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide (PubChem CID 106909660) has the molecular formula C9H10N6OS2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
PubChem CID106909660
Molecular FormulaC9H10N6OS2
Molecular Weight282.35 g/mol
Exact Mass282.04
IUPAC Name6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CSc2nnc(N)s2)n1
InChIInChI=1S/C9H10N6OS2/c10-8-14-15-9(18-8)17-4-5-2-1-3-6(12-5)7(16)13-11/h1-3H,4,11H2,(H2,10,14)(H,13,16)
InChIKeyWXBXUDUAYDWSTK-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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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide
CID 114199363
6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909697
6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909643
6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide
CID 106909598
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate
CID 7065834
6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909693
6-[(4-nitrophenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909631
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560562
6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909719
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909736
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390

Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide (CID 106909660) is 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(CSc2nnc(N)s2)n1.
What is the InChIKey of 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The InChIKey is WXBXUDUAYDWSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS2/c10-8-14-15-9(18-8)17-4-5-2-1-3-6(12-5)7(16)13-11/h1-3H,4,11H2,(H2,10,14)(H,13,16).
What are the key properties of 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-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 6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).