4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide

C17H14BrN3OS — CID 100750626

IUPAC4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3OS/c1-2-11-5-3-4-6-14(11)19-17(22)16-15(20-21-23-16)12-7-9-13(18)10-8-12/h3-10H,2H2,1H3,(H,19,22)
InChIKeyCOGQUGSHAZXPPB-UHFFFAOYSA-N
MW388.29 g/mol
LogP4.78
Rot. Bonds4

About 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide

4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide (PubChem CID 100750626) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
PubChem CID100750626
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC Name4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3OS/c1-2-11-5-3-4-6-14(11)19-17(22)16-15(20-21-23-16)12-7-9-13(18)10-8-12/h3-10H,2H2,1H3,(H,19,22)
InChIKeyCOGQUGSHAZXPPB-UHFFFAOYSA-N
XLogP4.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-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

4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745447
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100749567
4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide
CID 133200560
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100751260
N-(2-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745439
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972
methyl 2-[[4-(4-methylphenyl)thiadiazole-5-carbonyl]amino]benzoate
CID 100748907
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 81290411

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide (CID 100750626) is 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide is CCc1ccccc1NC(=O)c1snnc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide?
The InChIKey is COGQUGSHAZXPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c1-2-11-5-3-4-6-14(11)19-17(22)16-15(20-21-23-16)12-7-9-13(18)10-8-12/h3-10H,2H2,1H3,(H,19,22).
What are the key properties of 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide?
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide has a molecular weight of 388.29 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100750626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).