N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide

C10H7BrFN3OS — CID 103579445

IUPACN-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C10H7BrFN3OS/c1-5-9(17-15-14-5)10(16)13-8-4-6(12)2-3-7(8)11/h2-4H,1H3,(H,13,16)
InChIKeyCSFMFKCCMSFPOM-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.00
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide

N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 103579445) has the molecular formula C10H7BrFN3OS and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID103579445
Molecular FormulaC10H7BrFN3OS
Molecular Weight316.16 g/mol
Exact Mass314.95
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C10H7BrFN3OS/c1-5-9(17-15-14-5)10(16)13-8-4-6(12)2-3-7(8)11/h2-4H,1H3,(H,13,16)
InChIKeyCSFMFKCCMSFPOM-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 35177209
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 60812729
N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
CID 103098047
4-bromo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54933005
3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride
CID 65199616
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100749567
N-(4-amino-2,5-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 103144442
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400
N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103753515
N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide (CID 103579445) is N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is CSFMFKCCMSFPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3OS/c1-5-9(17-15-14-5)10(16)13-8-4-6(12)2-3-7(8)11/h2-4H,1H3,(H,13,16).
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide?
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 316.16 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 103579445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).