3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide

C9H8FN5OS — CID 114914426

IUPAC3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
SMILESNNc1c(F)cccc1C(=O)Nc1cnns1
InChIInChI=1S/C9H8FN5OS/c10-6-3-1-2-5(8(6)14-11)9(16)13-7-4-12-15-17-7/h1-4,14H,11H2,(H,13,16)
InChIKeyIEHGWMCQSQLFGN-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.22
Rot. Bonds3

About 3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide

3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide (PubChem CID 114914426) has the molecular formula C9H8FN5OS and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
PubChem CID114914426
Molecular FormulaC9H8FN5OS
Molecular Weight253.26 g/mol
Exact Mass253.04
IUPAC Name3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
SMILESNNc1c(F)cccc1C(=O)Nc1cnns1
InChIInChI=1S/C9H8FN5OS/c10-6-3-1-2-5(8(6)14-11)9(16)13-7-4-12-15-17-7/h1-4,14H,11H2,(H,13,16)
InChIKeyIEHGWMCQSQLFGN-UHFFFAOYSA-N
XLogP1.22
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide
CID 114914162
2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914439
3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912815
3-fluoro-N-(5-fluoro-2-pyridinyl)-2-hydrazinylbenzamide
CID 65481879
2,3-difluoro-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 105381676
3-fluoro-2-hydrazinyl-N-pyridin-3-ylbenzamide
CID 62660800
2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912821
4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide
CID 99789672
2-hydroxy-3-methoxy-N-(thiadiazol-5-yl)benzamide
CID 114912813
N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660094
3-fluoro-2-hydrazinyl-N-(3-methyl-4-pyridinyl)benzamide
CID 63671738
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide (CID 114914426) is 3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide is NNc1c(F)cccc1C(=O)Nc1cnns1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide?
The InChIKey is IEHGWMCQSQLFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5OS/c10-6-3-1-2-5(8(6)14-11)9(16)13-7-4-12-15-17-7/h1-4,14H,11H2,(H,13,16).
What are the key properties of 3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide?
3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide has a molecular weight of 253.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114914426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).