4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide

C17H14BrN3OS — CID 100750600

IUPAC4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3OS/c1-10-4-3-5-11(2)14(10)19-17(22)16-15(20-21-23-16)12-6-8-13(18)9-7-12/h3-9H,1-2H3,(H,19,22)
InChIKeyIBVNTXJGGSSWPA-UHFFFAOYSA-N
MW388.29 g/mol
LogP4.84
Rot. Bonds3

About 4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide

4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide (PubChem CID 100750600) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
PubChem CID100750600
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC Name4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3OS/c1-10-4-3-5-11(2)14(10)19-17(22)16-15(20-21-23-16)12-6-8-13(18)9-7-12/h3-9H,1-2H3,(H,19,22)
InChIKeyIBVNTXJGGSSWPA-UHFFFAOYSA-N
XLogP4.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
4-(4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)thiadiazole-5-carboxamide
CID 100746505
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100751260
4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
CID 100750499
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide
CID 100750933
4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide
CID 133200560

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide (CID 100750600) is 4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide is Cc1cccc(C)c1NC(=O)c1snnc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide?
The InChIKey is IBVNTXJGGSSWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c1-10-4-3-5-11(2)14(10)19-17(22)16-15(20-21-23-16)12-6-8-13(18)9-7-12/h3-9H,1-2H3,(H,19,22).
What are the key properties of 4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide?
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide has a molecular weight of 388.29 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100750600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).