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

C14H10N4O2S2 — CID 142452048

IUPACN-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
SMILESO=C(NO)c1ccc(Sc2nnc(-c3cccnc3)s2)cc1
InChIInChI=1S/C14H10N4O2S2/c19-12(18-20)9-3-5-11(6-4-9)21-14-17-16-13(22-14)10-2-1-7-15-8-10/h1-8,20H,(H,18,19)
InChIKeyPKYQXYZGUNWWLE-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.87
Rot. Bonds4

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

N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide (PubChem CID 142452048) has the molecular formula C14H10N4O2S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
PubChem CID142452048
Molecular FormulaC14H10N4O2S2
Molecular Weight330.39 g/mol
Exact Mass330.02
IUPAC NameN-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
SMILESO=C(NO)c1ccc(Sc2nnc(-c3cccnc3)s2)cc1
InChIInChI=1S/C14H10N4O2S2/c19-12(18-20)9-3-5-11(6-4-9)21-14-17-16-13(22-14)10-2-1-7-15-8-10/h1-8,20H,(H,18,19)
InChIKeyPKYQXYZGUNWWLE-UHFFFAOYSA-N
XLogP2.87
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 89034600
N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 5297912
N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
CID 118716313
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950
S-methyl N-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)carbamothioate
CID 87085130
5-pyridin-3-ylthiophene-2-carboxamide
CID 142116945
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate
CID 67025846
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 17450848

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide (CID 142452048) is N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide is O=C(NO)c1ccc(Sc2nnc(-c3cccnc3)s2)cc1.
What is the InChIKey of N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
The InChIKey is PKYQXYZGUNWWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S2/c19-12(18-20)9-3-5-11(6-4-9)21-14-17-16-13(22-14)10-2-1-7-15-8-10/h1-8,20H,(H,18,19).
What are the key properties of N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide?
N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide has a molecular weight of 330.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 142452048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).