N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide

C13H13FN4O2S3 — CID 7692277

IUPACN'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
SMILESCCSc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1
InChIInChI=1S/C13H13FN4O2S3/c1-2-21-12-17-18-13(23-12)22-7-10(19)15-16-11(20)8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,19)(H,16,20)
InChIKeyPPCQUQSTZDDLDN-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.34
Rot. Bonds6

About N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide

N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide (PubChem CID 7692277) has the molecular formula C13H13FN4O2S3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
PubChem CID7692277
Molecular FormulaC13H13FN4O2S3
Molecular Weight372.47 g/mol
Exact Mass372.02
IUPAC NameN'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
SMILESCCSc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1
InChIInChI=1S/C13H13FN4O2S3/c1-2-21-12-17-18-13(23-12)22-7-10(19)15-16-11(20)8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,19)(H,16,20)
InChIKeyPPCQUQSTZDDLDN-UHFFFAOYSA-N
XLogP2.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorobenzoyl)-3-methylthiophene-2-carbohydrazide
CID 2511029
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 9104181
2-methyl-N-(4-oxo-2-sulfanylidene-3-thiazolidinyl)benzamide
CID 1202470
4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 1425000
4-Fluoro-benzoic acid N'-(2-thiophen-2-yl-acetyl)-hydrazide
CID 772328
N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide
CID 7898067
2-bromo-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide
CID 2121976
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2706587
4-fluoro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 7732801
N-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzamide
CID 482274
Saijunmao
CID 43990
4-Chloro-benzoic acid N'-[2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetyl]-hydrazide
CID 926616

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide (CID 7692277) is N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide is CCSc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1.
What is the InChIKey of N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide?
The InChIKey is PPCQUQSTZDDLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2S3/c1-2-21-12-17-18-13(23-12)22-7-10(19)15-16-11(20)8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide?
N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide has a molecular weight of 372.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 7692277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).