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

C17H14BrN3OS — CID 100750499

IUPAC4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3OS/c18-14-8-6-13(7-9-14)15-16(23-21-20-15)17(22)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22)
InChIKeyVCNDPEHGDBYTGM-UHFFFAOYSA-N
MW388.29 g/mol
LogP3.94
Rot. Bonds5

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

4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide (PubChem CID 100750499) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
PubChem CID100750499
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC Name4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3OS/c18-14-8-6-13(7-9-14)15-16(23-21-20-15)17(22)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22)
InChIKeyVCNDPEHGDBYTGM-UHFFFAOYSA-N
XLogP3.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide
CID 133200560
N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45495678
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
4-(4-bromophenyl)-N-[2-(cyclohexen-1-yl)ethyl]thiadiazole-5-carboxamide
CID 100750432
4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
CID 100747726
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100751260
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide
CID 56731044
N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748441

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide (CID 100750499) is 4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide is O=C(NCCc1ccccc1)c1snnc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide?
The InChIKey is VCNDPEHGDBYTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c18-14-8-6-13(7-9-14)15-16(23-21-20-15)17(22)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22).
What are the key properties of 4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide?
4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide has a molecular weight of 388.29 g/mol, XLogP of 3.94, 5 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-phenylethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100750499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).