2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C15H13N3O3S2 — CID 1451530

IUPAC2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C15H13N3O3S2/c1-20-9-5-3-6-10(21-2)12(9)13(19)16-15-18-17-14(23-15)11-7-4-8-22-11/h3-8H,1-2H3,(H,16,18,19)
InChIKeyLFAHWVNNGABFOH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.54
Rot. Bonds5

About 2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide

2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1451530) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1451530
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C15H13N3O3S2/c1-20-9-5-3-6-10(21-2)12(9)13(19)16-15-18-17-14(23-15)11-7-4-8-22-11/h3-8H,1-2H3,(H,16,18,19)
InChIKeyLFAHWVNNGABFOH-UHFFFAOYSA-N
XLogP3.54
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,6-dimethoxy-N-(5-thiophen-2-yl-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

2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 869015
2,6-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1150758
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 1451418
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 2201266
3-ethoxy-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878458
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 1086869
3-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1451529
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 1548617
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)acetamide
CID 2201274
4-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 3212603

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 1451530) is 2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is LFAHWVNNGABFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-20-9-5-3-6-10(21-2)12(9)13(19)16-15-18-17-14(23-15)11-7-4-8-22-11/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of 2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1451530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).