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

C19H17F2N5O3S — CID 135357663

IUPAC3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cc2nnc(-c3cncc(N4CCOCC4)c3)s2)c(F)c1
InChIInChI=1S/C19H17F2N5O3S/c20-15-6-11(18(27)25-28)7-16(21)14(15)8-17-23-24-19(30-17)12-5-13(10-22-9-12)26-1-3-29-4-2-26/h5-7,9-10,28H,1-4,8H2,(H,25,27)
InChIKeyAQMQMNKZLYXPRG-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.42
Rot. Bonds5

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

3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide (PubChem CID 135357663) has the molecular formula C19H17F2N5O3S and a molecular weight of 433.44 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide
PubChem CID135357663
Molecular FormulaC19H17F2N5O3S
Molecular Weight433.44 g/mol
Exact Mass433.10
IUPAC Name3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide
SMILESO=C(NO)c1cc(F)c(Cc2nnc(-c3cncc(N4CCOCC4)c3)s2)c(F)c1
InChIInChI=1S/C19H17F2N5O3S/c20-15-6-11(18(27)25-28)7-16(21)14(15)8-17-23-24-19(30-17)12-5-13(10-22-9-12)26-1-3-29-4-2-26/h5-7,9-10,28H,1-4,8H2,(H,25,27)
InChIKeyAQMQMNKZLYXPRG-UHFFFAOYSA-N
XLogP2.42
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 135357794
N-hydroxy-4-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)pyridin-2-yl]tetrazol-2-yl]methyl]benzamide
CID 135358025
3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 156330403
1-[3,5-Difluoro-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl]-2-hydroxyethanone
CID 157120223
3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-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
CID 161775258

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide (CID 135357663) is 3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide is O=C(NO)c1cc(F)c(Cc2nnc(-c3cncc(N4CCOCC4)c3)s2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide?
The InChIKey is AQMQMNKZLYXPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O3S/c20-15-6-11(18(27)25-28)7-16(21)14(15)8-17-23-24-19(30-17)12-5-13(10-22-9-12)26-1-3-29-4-2-26/h5-7,9-10,28H,1-4,8H2,(H,25,27).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide?
3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide has a molecular weight of 433.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 135357663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).