N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C24H18F3N3O2S — CID 88901582

IUPACN-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C24H18F3N3O2S/c1-14-11-19(32-18-5-3-17(4-6-18)24(25,26)27)12-15(2)21(14)20-13-33-23(29-20)30-22(31)16-7-9-28-10-8-16/h3-13H,1-2H3,(H,29,30,31)
InChIKeyNKOVUODLUTVLHE-UHFFFAOYSA-N
MW469.49 g/mol
LogP6.89
Rot. Bonds5

About N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 88901582) has the molecular formula C24H18F3N3O2S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID88901582
Molecular FormulaC24H18F3N3O2S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC NameN-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C24H18F3N3O2S/c1-14-11-19(32-18-5-3-17(4-6-18)24(25,26)27)12-15(2)21(14)20-13-33-23(29-20)30-22(31)16-7-9-28-10-8-16/h3-13H,1-2H3,(H,29,30,31)
InChIKeyNKOVUODLUTVLHE-UHFFFAOYSA-N
XLogP6.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide
CID 5143831
2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24829746
N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832008
N-(4-methylthiazol-2-yl)-3-(pyridin-3-yloxy)benzamide
CID 51033561
N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 53386881
N-(4-(4-(4-Methoxyphenoxy)-2,6-dimethylphenyl)thiazol-2-yl)isonicotinamide
CID 53389629
N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53389630
N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53389631
N-[4-[4-(4-methoxyphenyl)sulfanyl-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53389632
2-Fluoro-N-[4-[4-(4-methoxyphenoxy)-2,6-dimethylphenyl]thiazol-2-yl]isonicotinamide
CID 53389651

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 88901582) is N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(Oc2ccc(C(F)(F)F)cc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.
What is the InChIKey of N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is NKOVUODLUTVLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S/c1-14-11-19(32-18-5-3-17(4-6-18)24(25,26)27)12-15(2)21(14)20-13-33-23(29-20)30-22(31)16-7-9-28-10-8-16/h3-13H,1-2H3,(H,29,30,31).
What are the key properties of N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 88901582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).