4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C16H12BrN3OS — CID 55824791

IUPAC4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H12BrN3OS/c1-10-9-12(17)7-8-13(10)14(21)18-16-20-19-15(22-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20,21)
InChIKeySAJXUFIWYKPBON-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.53
Rot. Bonds3

About 4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55824791) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55824791
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC Name4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H12BrN3OS/c1-10-9-12(17)7-8-13(10)14(21)18-16-20-19-15(22-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20,21)
InChIKeySAJXUFIWYKPBON-UHFFFAOYSA-N
XLogP4.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-methyl-N-(5-phenyl-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-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100644344
2-bromo-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23969392
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851
2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191838
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
CID 23966330
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
2-bromo-N-[5-[4-(3-hydroxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 171344955
3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1307564
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dimethoxybenzamide
CID 16813829

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 55824791) is 4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1cc(Br)ccc1C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is SAJXUFIWYKPBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c1-10-9-12(17)7-8-13(10)14(21)18-16-20-19-15(22-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20,21).
What are the key properties of 4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 374.26 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55824791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).