1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide

C12H10N6OS — CID 106774508

IUPAC1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide
SMILESNNc1ncc(C(=O)Nc2cnns2)c2ccccc12
InChIInChI=1S/C12H10N6OS/c13-17-11-8-4-2-1-3-7(8)9(5-14-11)12(19)16-10-6-15-18-20-10/h1-6H,13H2,(H,14,17)(H,16,19)
InChIKeyQJXUOBSLTFFUHJ-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.62
Rot. Bonds3

About 1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide

1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide (PubChem CID 106774508) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide
PubChem CID106774508
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide
SMILESNNc1ncc(C(=O)Nc2cnns2)c2ccccc12
InChIInChI=1S/C12H10N6OS/c13-17-11-8-4-2-1-3-7(8)9(5-14-11)12(19)16-10-6-15-18-20-10/h1-6H,13H2,(H,14,17)(H,16,19)
InChIKeyQJXUOBSLTFFUHJ-UHFFFAOYSA-N
XLogP1.62
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914439
1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914426
1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide
CID 106774275
1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide
CID 106773338
1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide
CID 106774052
3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912815
1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide
CID 106774391
2,3-difluoro-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 105381676
4-amino-N-(thiadiazol-5-yl)quinoline-2-carboxamide
CID 114912372
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-4-carboxamide
CID 106773929
2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912821

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide (CID 106774508) is 1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide is NNc1ncc(C(=O)Nc2cnns2)c2ccccc12.
What is the InChIKey of 1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide?
The InChIKey is QJXUOBSLTFFUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c13-17-11-8-4-2-1-3-7(8)9(5-14-11)12(19)16-10-6-15-18-20-10/h1-6H,13H2,(H,14,17)(H,16,19).
What are the key properties of 1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide?
1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106774508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).