4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide

C12H11FN4O2S2 — CID 4540563

IUPAC4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESCc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C12H11FN4O2S2/c1-7-14-17-12(21-7)20-6-10(18)15-16-11(19)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,18)(H,16,19)
InChIKeyRCDYAWXXTZHEFV-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.54
Rot. Bonds4

About 4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide

4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 4540563) has the molecular formula C12H11FN4O2S2 and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID4540563
Molecular FormulaC12H11FN4O2S2
Molecular Weight326.38 g/mol
Exact Mass326.03
IUPAC Name4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
SMILESCc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C12H11FN4O2S2/c1-7-14-17-12(21-7)20-6-10(18)15-16-11(19)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,18)(H,16,19)
InChIKeyRCDYAWXXTZHEFV-UHFFFAOYSA-N
XLogP1.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 9104181
N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 7692277
4-methyl-N-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}benzamide
CID 1294565
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2706587
4-Chloro-benzoic acid N'-[2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetyl]-hydrazide
CID 926616
4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 1425237
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-fluorobenzohydrazide
CID 2109156
2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide
CID 174576747
(2-fluorophenyl)-N-(4-oxo-2-thioxo(1,3-thiazolidin-3-yl))carboxamide
CID 1537133
N-[1-(4-fluorophenyl)ethylideneamino]-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 5161735
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 6287929
2-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 7474318

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide (CID 4540563) is 4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide is Cc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is RCDYAWXXTZHEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S2/c1-7-14-17-12(21-7)20-6-10(18)15-16-11(19)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide?
4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 326.38 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 4540563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).