N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide

C10H8BrN3OS — CID 61068672

IUPACN-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csnn2)cc1Br
InChIInChI=1S/C10H8BrN3OS/c1-6-2-3-7(4-8(6)11)12-10(15)9-5-16-14-13-9/h2-5H,1H3,(H,12,15)
InChIKeyICEZXQLZHBESSJ-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.86
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide

N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 61068672) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide
PubChem CID61068672
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC NameN-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csnn2)cc1Br
InChIInChI=1S/C10H8BrN3OS/c1-6-2-3-7(4-8(6)11)12-10(15)9-5-16-14-13-9/h2-5H,1H3,(H,12,15)
InChIKeyICEZXQLZHBESSJ-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-bromo-4-methylphenyl)pyridazine-3-carboxamide
CID 110859766
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 1454928
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
CID 71918391
2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214129
N-(4-methoxy-3-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 61068916
N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219450
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide (CID 61068672) is N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide is Cc1ccc(NC(=O)c2csnn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is ICEZXQLZHBESSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c1-6-2-3-7(4-8(6)11)12-10(15)9-5-16-14-13-9/h2-5H,1H3,(H,12,15).
What are the key properties of N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide?
N-(3-bromo-4-methylphenyl)thiadiazole-4-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-4-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 61068672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).