N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide

C16H13BrN4O3S — CID 23458626

IUPACN-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(Br)cn2)s1
InChIInChI=1S/C16H13BrN4O3S/c1-23-11-4-3-5-12(24-2)13(11)14(22)19-16-21-20-15(25-16)10-7-6-9(17)8-18-10/h3-8H,1-2H3,(H,19,21,22)
InChIKeyQFMARHMUJHITAI-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.63
Rot. Bonds5

About N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide

N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide (PubChem CID 23458626) has the molecular formula C16H13BrN4O3S and a molecular weight of 421.28 g/mol. Its IUPAC name is N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
PubChem CID23458626
Molecular FormulaC16H13BrN4O3S
Molecular Weight421.28 g/mol
Exact Mass419.99
IUPAC NameN-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(Br)cn2)s1
InChIInChI=1S/C16H13BrN4O3S/c1-23-11-4-3-5-12(24-2)13(11)14(22)19-16-21-20-15(25-16)10-7-6-9(17)8-18-10/h3-8H,1-2H3,(H,19,21,22)
InChIKeyQFMARHMUJHITAI-UHFFFAOYSA-N
XLogP3.63
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide 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

N-[5-(5-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 12881519
N-[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 12881517
4-bromo-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4562211
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dimethoxybenzamide
CID 16813829
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-[5-(1,3-benzoxazol-2-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 23458648
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 777660
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
2,6-dimethoxy-N-[5-(2-methyl-1-methylsulfanylpropan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13234326
2,6-dimethoxy-N-[5-(2-methylsulfanylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 13239351
N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 13234330

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide (CID 23458626) is N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(Br)cn2)s1.
What is the InChIKey of N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide?
The InChIKey is QFMARHMUJHITAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O3S/c1-23-11-4-3-5-12(24-2)13(11)14(22)19-16-21-20-15(25-16)10-7-6-9(17)8-18-10/h3-8H,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide?
N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide has a molecular weight of 421.28 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 23458626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).