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

C11H10FN5O2S2 — CID 9104181

IUPACN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
SMILESNc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1
InChIInChI=1S/C11H10FN5O2S2/c12-7-4-2-1-3-6(7)9(19)15-14-8(18)5-20-11-17-16-10(13)21-11/h1-4H,5H2,(H2,13,16)(H,14,18)(H,15,19)
InChIKeySNOBUHAMOSFPQA-UHFFFAOYSA-N
MW327.37 g/mol
LogP0.81
Rot. Bonds4

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

N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide (PubChem CID 9104181) has the molecular formula C11H10FN5O2S2 and a molecular weight of 327.37 g/mol. Its IUPAC name is N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
PubChem CID9104181
Molecular FormulaC11H10FN5O2S2
Molecular Weight327.37 g/mol
Exact Mass327.03
IUPAC NameN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
SMILESNc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1
InChIInChI=1S/C11H10FN5O2S2/c12-7-4-2-1-3-6(7)9(19)15-14-8(18)5-20-11-17-16-10(13)21-11/h1-4H,5H2,(H2,13,16)(H,14,18)(H,15,19)
InChIKeySNOBUHAMOSFPQA-UHFFFAOYSA-N
XLogP0.81
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 50.81
H-Bond Donors ≤ 53
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-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 7692277
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2706587
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-3-chlorobenzohydrazide
CID 16310121
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide
CID 7760211
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-fluorobenzohydrazide
CID 2109156
4-fluoro-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2217913
4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 3662906
2-fluoro-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 8092721
4-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 41958056
2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide
CID 174576747
2-fluoro-N'-(5-nitro-1,3,4-thiadiazol-2-yl)benzohydrazide
CID 174576748
N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-fluorobenzohydrazide
CID 2125159

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide (CID 9104181) is N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide is Nc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1.
What is the InChIKey of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide?
The InChIKey is SNOBUHAMOSFPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O2S2/c12-7-4-2-1-3-6(7)9(19)15-14-8(18)5-20-11-17-16-10(13)21-11/h1-4H,5H2,(H2,13,16)(H,14,18)(H,15,19).
What are the key properties of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide?
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide has a molecular weight of 327.37 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 9104181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).