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

C10H8BrN3OS — CID 104938594

IUPACN-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cnns2)c1
InChIInChI=1S/C10H8BrN3OS/c1-6-2-7(11)4-8(3-6)13-10(15)9-5-12-14-16-9/h2-5H,1H3,(H,13,15)
InChIKeyJKHXQCYKHLKIGY-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.86
Rot. Bonds2

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

N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 104938594) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide
PubChem CID104938594
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC NameN-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cnns2)c1
InChIInChI=1S/C10H8BrN3OS/c1-6-2-7(11)4-8(3-6)13-10(15)9-5-12-14-16-9/h2-5H,1H3,(H,13,15)
InChIKeyJKHXQCYKHLKIGY-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

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Related Compounds

N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]thiadiazole-5-carboxamide
CID 107577931
N-(4-acetylphenyl)thiadiazole-5-carboxamide
CID 47259424
N-(3-bromo-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107580400
N-(3-bromo-5-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 107578475
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107577282
5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107578608
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
N-(3-hydroxyphenyl)thiadiazole-5-carboxamide
CID 65215150
N-(4-methyl-3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 47332366
N-(3-bromo-5-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107578585

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide (CID 104938594) is N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide is Cc1cc(Br)cc(NC(=O)c2cnns2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is JKHXQCYKHLKIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c1-6-2-7(11)4-8(3-6)13-10(15)9-5-12-14-16-9/h2-5H,1H3,(H,13,15).
What are the key properties of N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide?
N-(3-bromo-5-methylphenyl)thiadiazole-5-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 N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 104938594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).