N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide

C15H19N5O3S — CID 118716313

IUPACN'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1nnc(-c2cccnc2)s1)NO
InChIInChI=1S/C15H19N5O3S/c21-12(7-3-1-2-4-8-13(22)20-23)17-15-19-18-14(24-15)11-6-5-9-16-10-11/h5-6,9-10,23H,1-4,7-8H2,(H,20,22)(H,17,19,21)
InChIKeyUATXVOCQHGXRFA-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.38
Rot. Bonds9

About N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide

N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide (PubChem CID 118716313) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
PubChem CID118716313
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1nnc(-c2cccnc2)s1)NO
InChIInChI=1S/C15H19N5O3S/c21-12(7-3-1-2-4-8-13(22)20-23)17-15-19-18-14(24-15)11-6-5-9-16-10-11/h5-6,9-10,23H,1-4,7-8H2,(H,20,22)(H,17,19,21)
InChIKeyUATXVOCQHGXRFA-UHFFFAOYSA-N
XLogP2.38
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729811
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729813
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729806
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2359813
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide
CID 123960518
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 155567708
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887
N'-hydroxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]hexanediamide
CID 56944798
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide?
The IUPAC name of N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide (CID 118716313) is N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide is O=C(CCCCCCC(=O)Nc1nnc(-c2cccnc2)s1)NO.
What is the InChIKey of N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide?
The InChIKey is UATXVOCQHGXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c21-12(7-3-1-2-4-8-13(22)20-23)17-15-19-18-14(24-15)11-6-5-9-16-10-11/h5-6,9-10,23H,1-4,7-8H2,(H,20,22)(H,17,19,21).
What are the key properties of N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide?
N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide has a molecular weight of 349.42 g/mol, XLogP of 2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide is sourced from PubChem (CID 118716313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).