2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C16H11BrFN3O2S — CID 47047756

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C16H11BrFN3O2S/c1-9-8-24-16(20-9)21-14(22)11-3-2-6-19-15(11)23-13-5-4-10(18)7-12(13)17/h2-8H,1H3,(H,20,21,22)
InChIKeyDITNEZYUQFHJJD-UHFFFAOYSA-N
MW408.25 g/mol
LogP4.79
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 47047756) has the molecular formula C16H11BrFN3O2S and a molecular weight of 408.25 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID47047756
Molecular FormulaC16H11BrFN3O2S
Molecular Weight408.25 g/mol
Exact Mass406.97
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C16H11BrFN3O2S/c1-9-8-24-16(20-9)21-14(22)11-3-2-6-19-15(11)23-13-5-4-10(18)7-12(13)17/h2-8H,1H3,(H,20,21,22)
InChIKeyDITNEZYUQFHJJD-UHFFFAOYSA-N
XLogP4.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 55791334
2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557524
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 107358521
2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide
CID 86862309
2-(2-bromo-4-fluorophenoxy)-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55789405
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62060816
2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 71893565
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxypyridine-3-carboxamide
CID 134002964
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 27751657
N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 47047756) is 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1csc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is DITNEZYUQFHJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2S/c1-9-8-24-16(20-9)21-14(22)11-3-2-6-19-15(11)23-13-5-4-10(18)7-12(13)17/h2-8H,1H3,(H,20,21,22).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 408.25 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 47047756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).