5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C24H16F4N4O3S — CID 164621988

IUPAC5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(C(F)(F)F)sc3-c3ccc(F)cc3)cc2)ccn1
InChIInChI=1S/C24H16F4N4O3S/c1-29-21(33)18-12-17(10-11-30-18)35-16-8-6-15(7-9-16)31-22(34)19-20(13-2-4-14(25)5-3-13)36-23(32-19)24(26,27)28/h2-12H,1H3,(H,29,33)(H,31,34)
InChIKeyUXWOHUGVMXQDJV-UHFFFAOYSA-N
MW516.48 g/mol
LogP5.77
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 164621988) has the molecular formula C24H16F4N4O3S and a molecular weight of 516.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID164621988
Molecular FormulaC24H16F4N4O3S
Molecular Weight516.48 g/mol
Exact Mass516.09
IUPAC Name5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(C(F)(F)F)sc3-c3ccc(F)cc3)cc2)ccn1
InChIInChI=1S/C24H16F4N4O3S/c1-29-21(33)18-12-17(10-11-30-18)35-16-8-6-15(7-9-16)31-22(34)19-20(13-2-4-14(25)5-3-13)36-23(32-19)24(26,27)28/h2-12H,1H3,(H,29,33)(H,31,34)
InChIKeyUXWOHUGVMXQDJV-UHFFFAOYSA-N
XLogP5.77
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.48
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 164621988) is 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(C(F)(F)F)sc3-c3ccc(F)cc3)cc2)ccn1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UXWOHUGVMXQDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N4O3S/c1-29-21(33)18-12-17(10-11-30-18)35-16-8-6-15(7-9-16)31-22(34)19-20(13-2-4-14(25)5-3-13)36-23(32-19)24(26,27)28/h2-12H,1H3,(H,29,33)(H,31,34).
What are the key properties of 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 516.48 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164621988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).