5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide

C10H8BrN3OS — CID 1499074

IUPAC5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nnsc2Br)c1
InChIInChI=1S/C10H8BrN3OS/c1-6-3-2-4-7(5-6)12-10(15)8-9(11)16-14-13-8/h2-5H,1H3,(H,12,15)
InChIKeyGHMBGPDKCXDMBE-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.86
Rot. Bonds2

About 5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide

5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 1499074) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide
PubChem CID1499074
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nnsc2Br)c1
InChIInChI=1S/C10H8BrN3OS/c1-6-3-2-4-7(5-6)12-10(15)8-9(11)16-14-13-8/h2-5H,1H3,(H,12,15)
InChIKeyGHMBGPDKCXDMBE-UHFFFAOYSA-N
XLogP2.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(3-methylphenyl)thiadiazole-4-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-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide
CID 542426
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-(3-methylphenyl)acetamide
CID 10843
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
N-(3-methylphenyl)pyridazine-3-carboxamide
CID 23633019
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide
CID 170103550
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide (CID 1499074) is 5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide is Cc1cccc(NC(=O)c2nnsc2Br)c1.
What is the InChIKey of 5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is GHMBGPDKCXDMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c1-6-3-2-4-7(5-6)12-10(15)8-9(11)16-14-13-8/h2-5H,1H3,(H,12,15).
What are the key properties of 5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide?
5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1499074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).