N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide

C15H10BrN3OS — CID 100745447

IUPACN-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1Br)c1snnc1-c1ccccc1
InChIInChI=1S/C15H10BrN3OS/c16-11-8-4-5-9-12(11)17-15(20)14-13(18-19-21-14)10-6-2-1-3-7-10/h1-9H,(H,17,20)
InChIKeyFWEQWIBPHBACSH-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.22
Rot. Bonds3

About N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide

N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide (PubChem CID 100745447) has the molecular formula C15H10BrN3OS and a molecular weight of 360.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide
PubChem CID100745447
Molecular FormulaC15H10BrN3OS
Molecular Weight360.24 g/mol
Exact Mass358.97
IUPAC NameN-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1Br)c1snnc1-c1ccccc1
InChIInChI=1S/C15H10BrN3OS/c16-11-8-4-5-9-12(11)17-15(20)14-13(18-19-21-14)10-6-2-1-3-7-10/h1-9H,(H,17,20)
InChIKeyFWEQWIBPHBACSH-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100749567
N-(2-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745439
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767937
4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide
CID 100750257
methyl 2-[[4-(4-methylphenyl)thiadiazole-5-carbonyl]amino]benzoate
CID 100748907
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
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-(2-phenylethyl)thiadiazole-5-carboxamide
CID 100750499
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide (CID 100745447) is N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide is O=C(Nc1ccccc1Br)c1snnc1-c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide?
The InChIKey is FWEQWIBPHBACSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3OS/c16-11-8-4-5-9-12(11)17-15(20)14-13(18-19-21-14)10-6-2-1-3-7-10/h1-9H,(H,17,20).
What are the key properties of N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide?
N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide has a molecular weight of 360.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 100745447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).