3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide

C15H10F2N4O2S — CID 135357794

IUPAC3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cc2nnc(-c3ccncc3)s2)c(F)c1
InChIInChI=1S/C15H10F2N4O2S/c16-11-5-9(14(22)21-23)6-12(17)10(11)7-13-19-20-15(24-13)8-1-3-18-4-2-8/h1-6,23H,7H2,(H,21,22)
InChIKeyIVTRXZVFBYYIOA-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.59
Rot. Bonds4

About 3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide

3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide (PubChem CID 135357794) has the molecular formula C15H10F2N4O2S and a molecular weight of 348.33 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide
PubChem CID135357794
Molecular FormulaC15H10F2N4O2S
Molecular Weight348.33 g/mol
Exact Mass348.05
IUPAC Name3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cc2nnc(-c3ccncc3)s2)c(F)c1
InChIInChI=1S/C15H10F2N4O2S/c16-11-5-9(14(22)21-23)6-12(17)10(11)7-13-19-20-15(24-13)8-1-3-18-4-2-8/h1-6,23H,7H2,(H,21,22)
InChIKeyIVTRXZVFBYYIOA-UHFFFAOYSA-N
XLogP2.59
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 44418106
N-hydroxy-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 44418125
5-(5-(2-(4-fluorobenzylamino)ethyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418220
N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide
CID 166634874
Cambridge id 6838998
CID 797802
4-fluoro-N-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 743989
N-(2,6-difluorobenzoyl)-N'-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 129881493
2,6-difluoro-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17191176
6-[5-(5-Fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 68623145
3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
CID 135357344
3,5-difluoro-N-hydroxy-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]benzamide
CID 135357479
3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide
CID 135357663

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide (CID 135357794) is 3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide is O=C(NO)c1cc(F)c(Cc2nnc(-c3ccncc3)s2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The InChIKey is IVTRXZVFBYYIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O2S/c16-11-5-9(14(22)21-23)6-12(17)10(11)7-13-19-20-15(24-13)8-1-3-18-4-2-8/h1-6,23H,7H2,(H,21,22).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide has a molecular weight of 348.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 135357794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).