N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide

C15H9BrF2N4OS — CID 158537421

IUPACN-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1nc(-c2c(F)ccc(Br)c2F)ns1
InChIInChI=1S/C15H9BrF2N4OS/c1-7-8(3-2-6-19-7)14(23)21-15-20-13(22-24-15)11-10(17)5-4-9(16)12(11)18/h2-6H,1H3,(H,20,21,22,23)
InChIKeyLDVUPSZADDLPOG-UHFFFAOYSA-N
MW411.23 g/mol
LogP4.20
Rot. Bonds3

About N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide

N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide (PubChem CID 158537421) has the molecular formula C15H9BrF2N4OS and a molecular weight of 411.23 g/mol. Its IUPAC name is N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide
PubChem CID158537421
Molecular FormulaC15H9BrF2N4OS
Molecular Weight411.23 g/mol
Exact Mass409.96
IUPAC NameN-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1nc(-c2c(F)ccc(Br)c2F)ns1
InChIInChI=1S/C15H9BrF2N4OS/c1-7-8(3-2-6-19-7)14(23)21-15-20-13(22-24-15)11-10(17)5-4-9(16)12(11)18/h2-6H,1H3,(H,20,21,22,23)
InChIKeyLDVUPSZADDLPOG-UHFFFAOYSA-N
XLogP4.20
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 103755613
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400
2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 115661246
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103867736
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 86942045
N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 138583581
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 114050876
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 122150828

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide (CID 158537421) is N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1nc(-c2c(F)ccc(Br)c2F)ns1.
What is the InChIKey of N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is LDVUPSZADDLPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N4OS/c1-7-8(3-2-6-19-7)14(23)21-15-20-13(22-24-15)11-10(17)5-4-9(16)12(11)18/h2-6H,1H3,(H,20,21,22,23).
What are the key properties of N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide?
N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 411.23 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromo-2,6-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 158537421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).