5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide

C13H10FN3O2S — CID 114913730

IUPAC5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C13H10FN3O2S/c14-10-5-4-9(3-1-2-6-18)11(7-10)13(19)16-12-8-15-17-20-12/h4-5,7-8,18H,2,6H2,(H,16,19)
InChIKeyWQGDPPNYSWMCOH-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.66
Rot. Bonds3

About 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide

5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide (PubChem CID 114913730) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide
PubChem CID114913730
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C13H10FN3O2S/c14-10-5-4-9(3-1-2-6-18)11(7-10)13(19)16-12-8-15-17-20-12/h4-5,7-8,18H,2,6H2,(H,16,19)
InChIKeyWQGDPPNYSWMCOH-UHFFFAOYSA-N
XLogP1.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide
CID 60815649
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114913900
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817200
2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide
CID 114912759
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816589
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
CID 54921719
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(thiadiazol-5-yl)benzamide
CID 114913806
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 60815511
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114913838
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197488
3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide
CID 107523313
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279208

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide (CID 114913730) is 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide is O=C(Nc1cnns1)c1cc(F)ccc1C#CCCO.
What is the InChIKey of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide?
The InChIKey is WQGDPPNYSWMCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c14-10-5-4-9(3-1-2-6-18)11(7-10)13(19)16-12-8-15-17-20-12/h4-5,7-8,18H,2,6H2,(H,16,19).
What are the key properties of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide?
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide has a molecular weight of 291.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114913730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).