2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

C15H19N3O3S — CID 112809705

IUPAC2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2cc(OC)ccc2O)s1
InChIInChI=1S/C15H19N3O3S/c1-3-4-5-6-13-17-18-15(22-13)16-14(20)11-9-10(21-2)7-8-12(11)19/h7-9,19H,3-6H2,1-2H3,(H,16,18,20)
InChIKeyDMYXJNCHZDAOHN-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.24
Rot. Bonds7

About 2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 112809705) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID112809705
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2cc(OC)ccc2O)s1
InChIInChI=1S/C15H19N3O3S/c1-3-4-5-6-13-17-18-15(22-13)16-14(20)11-9-10(21-2)7-8-12(11)19/h7-9,19H,3-6H2,1-2H3,(H,16,18,20)
InChIKeyDMYXJNCHZDAOHN-UHFFFAOYSA-N
XLogP3.24
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 51176076
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide
CID 26197074
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
2-(4-methoxyphenyl)-4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 24667908
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
2-(2-methoxyethoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60567241
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804101
2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 46508754
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (CID 112809705) is 2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCCc1nnc(NC(=O)c2cc(OC)ccc2O)s1.
What is the InChIKey of 2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DMYXJNCHZDAOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-4-5-6-13-17-18-15(22-13)16-14(20)11-9-10(21-2)7-8-12(11)19/h7-9,19H,3-6H2,1-2H3,(H,16,18,20).
What are the key properties of 2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 321.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 112809705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).