N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

C10H7BrClN3OS — CID 82757101

IUPACN-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2nnc(Cl)s2)c1
InChIInChI=1S/C10H7BrClN3OS/c1-5-2-3-6(11)7(4-5)13-8(16)9-14-15-10(12)17-9/h2-4H,1H3,(H,13,16)
InChIKeyOPLDVPJLBQAKGI-UHFFFAOYSA-N
MW332.61 g/mol
LogP3.51
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (PubChem CID 82757101) has the molecular formula C10H7BrClN3OS and a molecular weight of 332.61 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
PubChem CID82757101
Molecular FormulaC10H7BrClN3OS
Molecular Weight332.61 g/mol
Exact Mass330.92
IUPAC NameN-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2nnc(Cl)s2)c1
InChIInChI=1S/C10H7BrClN3OS/c1-5-2-3-6(11)7(4-5)13-8(16)9-14-15-10(12)17-9/h2-4H,1H3,(H,13,16)
InChIKeyOPLDVPJLBQAKGI-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide 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-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
5-chloro-N-(2,4-dibromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80626097
N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625157
N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide
CID 106685098
5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625362
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzamide
CID 82756818
5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617853
5-chloro-N-[4-(dimethylamino)-2-methylphenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625694
(2-bromo-5-methylphenyl)urea
CID 82707313
5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618037
N-(2-bromo-5-chlorophenyl)-4-methyl-2-(methylamino)benzamide
CID 81275377

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (CID 82757101) is N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(Br)c(NC(=O)c2nnc(Cl)s2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OPLDVPJLBQAKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3OS/c1-5-2-3-6(11)7(4-5)13-8(16)9-14-15-10(12)17-9/h2-4H,1H3,(H,13,16).
What are the key properties of N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 332.61 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 82757101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).