N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C23H18FN3O2S — CID 58442402

IUPACN-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(Oc2ccc(F)cc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C23H18FN3O2S/c1-14-11-19(29-18-5-3-17(24)4-6-18)12-15(2)21(14)20-13-30-23(26-20)27-22(28)16-7-9-25-10-8-16/h3-13H,1-2H3,(H,26,27,28)
InChIKeyGKDUQUYBQGBCIK-UHFFFAOYSA-N
MW419.48 g/mol
LogP6.01
Rot. Bonds5

About N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 58442402) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID58442402
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC NameN-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(Oc2ccc(F)cc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C23H18FN3O2S/c1-14-11-19(29-18-5-3-17(24)4-6-18)12-15(2)21(14)20-13-30-23(26-20)27-22(28)16-7-9-25-10-8-16/h3-13H,1-2H3,(H,26,27,28)
InChIKeyGKDUQUYBQGBCIK-UHFFFAOYSA-N
XLogP6.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 58442402) is N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(Oc2ccc(F)cc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.
What is the InChIKey of N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is GKDUQUYBQGBCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c1-14-11-19(29-18-5-3-17(24)4-6-18)12-15(2)21(14)20-13-30-23(26-20)27-22(28)16-7-9-25-10-8-16/h3-13H,1-2H3,(H,26,27,28).
What are the key properties of N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58442402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).