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

C14H14FN5O2S2 — CID 7797553

IUPAC2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESC=CCNc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H14FN5O2S2/c1-2-7-16-13-19-20-14(24-13)23-8-11(21)17-18-12(22)9-5-3-4-6-10(9)15/h2-6H,1,7-8H2,(H,16,19)(H,17,21)(H,18,22)
InChIKeyKIOQOMQMIRBGRK-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.83
Rot. Bonds7

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

2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (PubChem CID 7797553) has the molecular formula C14H14FN5O2S2 and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
PubChem CID7797553
Molecular FormulaC14H14FN5O2S2
Molecular Weight367.43 g/mol
Exact Mass367.06
IUPAC Name2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESC=CCNc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1
InChIInChI=1S/C14H14FN5O2S2/c1-2-7-16-13-19-20-14(24-13)23-8-11(21)17-18-12(22)9-5-3-4-6-10(9)15/h2-6H,1,7-8H2,(H,16,19)(H,17,21)(H,18,22)
InChIKeyKIOQOMQMIRBGRK-UHFFFAOYSA-N
XLogP1.83
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (CID 7797553) is 2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is C=CCNc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The InChIKey is KIOQOMQMIRBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2S2/c1-2-7-16-13-19-20-14(24-13)23-8-11(21)17-18-12(22)9-5-3-4-6-10(9)15/h2-6H,1,7-8H2,(H,16,19)(H,17,21)(H,18,22).
What are the key properties of 2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide has a molecular weight of 367.43 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 7797553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).