N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide

C10H7BrClN3OS — CID 103479705

IUPACN-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H7BrClN3OS/c1-5-9(17-15-14-5)10(16)13-7-4-2-3-6(12)8(7)11/h2-4H,1H3,(H,13,16)
InChIKeyYQHLWQLACMVIJB-UHFFFAOYSA-N
MW332.61 g/mol
LogP3.51
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide

N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 103479705) has the molecular formula C10H7BrClN3OS and a molecular weight of 332.61 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID103479705
Molecular FormulaC10H7BrClN3OS
Molecular Weight332.61 g/mol
Exact Mass330.92
IUPAC NameN-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H7BrClN3OS/c1-5-9(17-15-14-5)10(16)13-7-4-2-3-6(12)8(7)11/h2-4H,1H3,(H,13,16)
InChIKeyYQHLWQLACMVIJB-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
CID 7576719
N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4055872
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445
N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
CID 7576784
N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 7293420
4-bromo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54933005
3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride
CID 65199616
ethane;N-[2-(hydroperoxymethyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 90926144
N-(2-bromo-3-chlorophenyl)-2,6-dihydroxybenzamide
CID 107688834
N-(2-bromo-3-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 103481373

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide (CID 103479705) is N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is YQHLWQLACMVIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3OS/c1-5-9(17-15-14-5)10(16)13-7-4-2-3-6(12)8(7)11/h2-4H,1H3,(H,13,16).
What are the key properties of N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide?
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 332.61 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 103479705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).