2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide

C14H17FN4OS — CID 174576747

IUPAC2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide
SMILESCCCCCc1nnc(NNC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H17FN4OS/c1-2-3-4-9-12-16-18-14(21-12)19-17-13(20)10-7-5-6-8-11(10)15/h5-8H,2-4,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyIEGMZFDSGIKHGH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.17
Rot. Bonds7

About 2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide

2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide (PubChem CID 174576747) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide
PubChem CID174576747
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide
SMILESCCCCCc1nnc(NNC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H17FN4OS/c1-2-3-4-9-12-16-18-14(21-12)19-17-13(20)10-7-5-6-8-11(10)15/h5-8H,2-4,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyIEGMZFDSGIKHGH-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide?
The IUPAC name of 2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide (CID 174576747) is 2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide?
The canonical SMILES for 2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide is CCCCCc1nnc(NNC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide?
The InChIKey is IEGMZFDSGIKHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-2-3-4-9-12-16-18-14(21-12)19-17-13(20)10-7-5-6-8-11(10)15/h5-8H,2-4,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide?
2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide has a molecular weight of 308.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(5-pentyl-1,3,4-thiadiazol-2-yl)benzohydrazide is sourced from PubChem (CID 174576747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).