4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide

C10H11FN6OS — CID 107459058

IUPAC4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide
SMILESCn1nnnc1SCc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C10H11FN6OS/c1-17-10(14-15-16-17)19-5-7-4-6(9(18)13-12)2-3-8(7)11/h2-4H,5,12H2,1H3,(H,13,18)
InChIKeyHESJAORLWBYVSO-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.25
Rot. Bonds4

About 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide

4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide (PubChem CID 107459058) has the molecular formula C10H11FN6OS and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide
PubChem CID107459058
Molecular FormulaC10H11FN6OS
Molecular Weight282.30 g/mol
Exact Mass282.07
IUPAC Name4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide
SMILESCn1nnnc1SCc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C10H11FN6OS/c1-17-10(14-15-16-17)19-5-7-4-6(9(18)13-12)2-3-8(7)11/h2-4H,5,12H2,1H3,(H,13,18)
InChIKeyHESJAORLWBYVSO-UHFFFAOYSA-N
XLogP0.25
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-chlorophenyl)carbonyl]-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetohydrazide
CID 864615
4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzohydrazide
CID 2360211
N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide
CID 7784936
N'-[(4-bromophenyl)carbonyl]-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetohydrazide
CID 1139988
N,N-dimethylformamide;4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 16196117
4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 3662906
3-[(1-Cyclopropyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 40062710
4-fluoro-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 2105349
N'-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-fluorobenzohydrazide
CID 4221749
2-fluoro-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 7509321
N'-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 7704551
2-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 8021921

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide (CID 107459058) is 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide is Cn1nnnc1SCc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide?
The InChIKey is HESJAORLWBYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6OS/c1-17-10(14-15-16-17)19-5-7-4-6(9(18)13-12)2-3-8(7)11/h2-4H,5,12H2,1H3,(H,13,18).
What are the key properties of 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide?
4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide has a molecular weight of 282.30 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 107459058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).