2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C19H11BrFN3O3S — CID 55791334

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)c1cccnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C19H11BrFN3O3S/c20-13-9-11(21)5-6-15(13)27-18-12(3-1-7-22-18)17(25)24-19-23-14(10-28-19)16-4-2-8-26-16/h1-10H,(H,23,24,25)
InChIKeyDFOITBPDTCPQCU-UHFFFAOYSA-N
MW460.28 g/mol
LogP5.74
Rot. Bonds5

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

2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 55791334) has the molecular formula C19H11BrFN3O3S and a molecular weight of 460.28 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID55791334
Molecular FormulaC19H11BrFN3O3S
Molecular Weight460.28 g/mol
Exact Mass458.97
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)c1cccnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C19H11BrFN3O3S/c20-13-9-11(21)5-6-15(13)27-18-12(3-1-7-22-18)17(25)24-19-23-14(10-28-19)16-4-2-8-26-16/h1-10H,(H,23,24,25)
InChIKeyDFOITBPDTCPQCU-UHFFFAOYSA-N
XLogP5.74
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.28
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47047756
methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxypyridine-3-carboxamide
CID 134002964
2-(2-bromo-4-fluorophenoxy)-N-[4-(dimethylamino)butan-2-yl]pyridine-3-carboxamide
CID 86862309
2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 71893565
N-[4-(4-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
CID 176859765
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-ethoxypyridine-3-carboxamide
CID 16551700
2-(2-bromo-4-fluorophenoxy)-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55789405
2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8839157
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78899711
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134003036

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 55791334) is 2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2ccco2)cs1)c1cccnc1Oc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is DFOITBPDTCPQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrFN3O3S/c20-13-9-11(21)5-6-15(13)27-18-12(3-1-7-22-18)17(25)24-19-23-14(10-28-19)16-4-2-8-26-16/h1-10H,(H,23,24,25).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 460.28 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 55791334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).