N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C22H16F3N3O2S — CID 121024897

IUPACN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1c(NC(=O)COc2cccc(C(F)(F)F)c2)cccc1-c1nc2cccnc2s1
InChIInChI=1S/C22H16F3N3O2S/c1-13-16(20-28-18-9-4-10-26-21(18)31-20)7-3-8-17(13)27-19(29)12-30-15-6-2-5-14(11-15)22(23,24)25/h2-11H,12H2,1H3,(H,27,29)
InChIKeyFQPWZHHSLYKIIB-UHFFFAOYSA-N
MW443.45 g/mol
LogP5.70
Rot. Bonds5

About N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 121024897) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID121024897
Molecular FormulaC22H16F3N3O2S
Molecular Weight443.45 g/mol
Exact Mass443.09
IUPAC NameN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1c(NC(=O)COc2cccc(C(F)(F)F)c2)cccc1-c1nc2cccnc2s1
InChIInChI=1S/C22H16F3N3O2S/c1-13-16(20-28-18-9-4-10-26-21(18)31-20)7-3-8-17(13)27-19(29)12-30-15-6-2-5-14(11-15)22(23,24)25/h2-11H,12H2,1H3,(H,27,29)
InChIKeyFQPWZHHSLYKIIB-UHFFFAOYSA-N
XLogP5.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16815202
2-(3-methylphenoxy)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024920
N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522774
2-(3-methylphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024714
2-(benzimidazol-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121025018
2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024913
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9393928
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 122162419
N-(1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8882895
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121025035
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1396043
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853946

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 121024897) is N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1c(NC(=O)COc2cccc(C(F)(F)F)c2)cccc1-c1nc2cccnc2s1.
What is the InChIKey of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is FQPWZHHSLYKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c1-13-16(20-28-18-9-4-10-26-21(18)31-20)7-3-8-17(13)27-19(29)12-30-15-6-2-5-14(11-15)22(23,24)25/h2-11H,12H2,1H3,(H,27,29).
What are the key properties of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 443.45 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-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 121024897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).