3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide

C10H10FN5OS2 — CID 107459152

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(CSc2nnc(N)s2)c1
InChIInChI=1S/C10H10FN5OS2/c11-7-2-1-5(8(17)14-13)3-6(7)4-18-10-16-15-9(12)19-10/h1-3H,4,13H2,(H2,12,15)(H,14,17)
InChIKeyIGXKDALCQRSPCG-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.16
Rot. Bonds4

About 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide (PubChem CID 107459152) has the molecular formula C10H10FN5OS2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide
PubChem CID107459152
Molecular FormulaC10H10FN5OS2
Molecular Weight299.36 g/mol
Exact Mass299.03
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)c(CSc2nnc(N)s2)c1
InChIInChI=1S/C10H10FN5OS2/c11-7-2-1-5(8(17)14-13)3-6(7)4-18-10-16-15-9(12)19-10/h1-3H,4,13H2,(H2,12,15)(H,14,17)
InChIKeyIGXKDALCQRSPCG-UHFFFAOYSA-N
XLogP1.16
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.16
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide (CID 107459152) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide is NNC(=O)c1ccc(F)c(CSc2nnc(N)s2)c1.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide?
The InChIKey is IGXKDALCQRSPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5OS2/c11-7-2-1-5(8(17)14-13)3-6(7)4-18-10-16-15-9(12)19-10/h1-3H,4,13H2,(H2,12,15)(H,14,17).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide has a molecular weight of 299.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107459152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).