N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide

C22H16FN3O2S — CID 90596793

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide
SMILESCc1sc(NC(=O)c2cccc(Oc3ccccn3)c2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O2S/c1-14-20(15-8-10-17(23)11-9-15)25-22(29-14)26-21(27)16-5-4-6-18(13-16)28-19-7-2-3-12-24-19/h2-13H,1H3,(H,25,26,27)
InChIKeyZSIVMTIZALAEQF-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.70
Rot. Bonds5

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide (PubChem CID 90596793) has the molecular formula C22H16FN3O2S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide
PubChem CID90596793
Molecular FormulaC22H16FN3O2S
Molecular Weight405.45 g/mol
Exact Mass405.09
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide
SMILESCc1sc(NC(=O)c2cccc(Oc3ccccn3)c2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O2S/c1-14-20(15-8-10-17(23)11-9-15)25-22(29-14)26-21(27)16-5-4-6-18(13-16)28-19-7-2-3-12-24-19/h2-13H,1H3,(H,25,26,27)
InChIKeyZSIVMTIZALAEQF-UHFFFAOYSA-N
XLogP5.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596534
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
4-[4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 56549045
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 39323871
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26291645
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-pyridin-2-yloxybenzamide
CID 90596630
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 8610429
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide (CID 90596793) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide is Cc1sc(NC(=O)c2cccc(Oc3ccccn3)c2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide?
The InChIKey is ZSIVMTIZALAEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2S/c1-14-20(15-8-10-17(23)11-9-15)25-22(29-14)26-21(27)16-5-4-6-18(13-16)28-19-7-2-3-12-24-19/h2-13H,1H3,(H,25,26,27).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide has a molecular weight of 405.45 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-pyridin-2-yloxybenzamide is sourced from PubChem (CID 90596793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).