N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide

C14H11N3O3S — CID 126569528

IUPACN-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2sc3ncccc3c2=O)cc1
InChIInChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
InChIKeyVLJAVCKTTLIBDT-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.63
Rot. Bonds3

About N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide

N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide (PubChem CID 126569528) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide
PubChem CID126569528
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2sc3ncccc3c2=O)cc1
InChIInChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
InChIKeyVLJAVCKTTLIBDT-UHFFFAOYSA-N
XLogP1.63
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.63
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

2H,3H-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 2727563
N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide
CID 145865295
2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 6622480
Xg076
CID 5703
2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CID 9992116
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]pyridine-3-carboxamide
CID 11392331
(E)-N-hydroxy-3-[2-(pyridine-3-carbonyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 24958452
2-(4-(Trifluoromethyl)benzyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CID 53257845
2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 58465664
N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 58465681
2-Isobutyl-isothiazolo[5,4-b]pyridin-3-one
CID 11127503
4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 71574948

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide (CID 126569528) is N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2sc3ncccc3c2=O)cc1.
What is the InChIKey of N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide?
The InChIKey is VLJAVCKTTLIBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18).
What are the key properties of N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide?
N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 301.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 126569528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).