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

C19H27N3O3S — CID 46551224

IUPAC3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCCCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C19H27N3O3S/c1-4-5-6-7-8-9-10-17-21-22-19(26-17)20-18(23)14-11-12-15(24-2)16(13-14)25-3/h11-13H,4-10H2,1-3H3,(H,20,22,23)
InChIKeyRJBYPZBSZLUUIY-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.71
Rot. Bonds11

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

3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 46551224) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID46551224
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCCCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C19H27N3O3S/c1-4-5-6-7-8-9-10-17-21-22-19(26-17)20-18(23)14-11-12-15(24-2)16(13-14)25-3/h11-13H,4-10H2,1-3H3,(H,20,22,23)
InChIKeyRJBYPZBSZLUUIY-UHFFFAOYSA-N
XLogP4.71
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115
4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55360863
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide
CID 55792414
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
2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 51176076
3,4,5-triethoxy-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3749207
2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2208286
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide (CID 46551224) is 3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCCCCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1.
What is the InChIKey of 3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RJBYPZBSZLUUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-4-5-6-7-8-9-10-17-21-22-19(26-17)20-18(23)14-11-12-15(24-2)16(13-14)25-3/h11-13H,4-10H2,1-3H3,(H,20,22,23).
What are the key properties of 3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide?
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 377.51 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 46551224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).