N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide

C26H24FN3O3S — CID 118361401

IUPACN-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide
SMILESCCCOc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4cccc(F)c4)n3)c(C)c2)cn1
InChIInChI=1S/C26H24FN3O3S/c1-4-10-32-23-9-8-20(14-28-23)33-21-11-16(2)24(17(3)12-21)22-15-34-26(29-22)30-25(31)18-6-5-7-19(27)13-18/h5-9,11-15H,4,10H2,1-3H3,(H,29,30,31)
InChIKeyYDUSNSSJXBNLPF-UHFFFAOYSA-N
MW477.56 g/mol
LogP6.79
Rot. Bonds8

About N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide

N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide (PubChem CID 118361401) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide
PubChem CID118361401
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC NameN-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide
SMILESCCCOc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4cccc(F)c4)n3)c(C)c2)cn1
InChIInChI=1S/C26H24FN3O3S/c1-4-10-32-23-9-8-20(14-28-23)33-21-11-16(2)24(17(3)12-21)22-15-34-26(29-22)30-25(31)18-6-5-7-19(27)13-18/h5-9,11-15H,4,10H2,1-3H3,(H,29,30,31)
InChIKeyYDUSNSSJXBNLPF-UHFFFAOYSA-N
XLogP6.79
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide (CID 118361401) is N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide is CCCOc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4cccc(F)c4)n3)c(C)c2)cn1.
What is the InChIKey of N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide?
The InChIKey is YDUSNSSJXBNLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-4-10-32-23-9-8-20(14-28-23)33-21-11-16(2)24(17(3)12-21)22-15-34-26(29-22)30-25(31)18-6-5-7-19(27)13-18/h5-9,11-15H,4,10H2,1-3H3,(H,29,30,31).
What are the key properties of N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide?
N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide has a molecular weight of 477.56 g/mol, XLogP of 6.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-dimethyl-4-[(6-propoxy-3-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 118361401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).