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

C16H21N3O3S — CID 51176076

IUPAC2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2cc(OC)ccc2OC)s1
InChIInChI=1S/C16H21N3O3S/c1-4-5-6-7-14-18-19-16(23-14)17-15(20)12-10-11(21-2)8-9-13(12)22-3/h8-10H,4-7H2,1-3H3,(H,17,19,20)
InChIKeyYIDQLSFPPSMECC-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.54
Rot. Bonds8

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

2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 51176076) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID51176076
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2cc(OC)ccc2OC)s1
InChIInChI=1S/C16H21N3O3S/c1-4-5-6-7-14-18-19-16(23-14)17-15(20)12-10-11(21-2)8-9-13(12)22-3/h8-10H,4-7H2,1-3H3,(H,17,19,20)
InChIKeyYIDQLSFPPSMECC-UHFFFAOYSA-N
XLogP3.54
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 112809705
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide
CID 26197074
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
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804101
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115
2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2208286
2-(4-methoxyphenyl)-4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 24667908
2-(2-methoxyethoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60567241
2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 26068299

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (CID 51176076) is 2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCCc1nnc(NC(=O)c2cc(OC)ccc2OC)s1.
What is the InChIKey of 2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YIDQLSFPPSMECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-5-6-7-14-18-19-16(23-14)17-15(20)12-10-11(21-2)8-9-13(12)22-3/h8-10H,4-7H2,1-3H3,(H,17,19,20).
What are the key properties of 2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 335.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 51176076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).