2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide

C22H18FN3O2S — CID 121024696

IUPAC2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O2S/c1-13-5-6-15(21-26-18-4-3-11-24-22(18)29-21)12-19(13)25-20(27)14(2)28-17-9-7-16(23)8-10-17/h3-12,14H,1-2H3,(H,25,27)
InChIKeyRICONBAIGFIVGH-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.21
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide

2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (PubChem CID 121024696) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
PubChem CID121024696
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O2S/c1-13-5-6-15(21-26-18-4-3-11-24-22(18)29-21)12-19(13)25-20(27)14(2)28-17-9-7-16(23)8-10-17/h3-12,14H,1-2H3,(H,25,27)
InChIKeyRICONBAIGFIVGH-UHFFFAOYSA-N
XLogP5.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 121024497
2-(4-ethoxyphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024502
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 121024749
2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024515
2-(4-fluorophenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024589
2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 43955384
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
(E)-3-(4-methoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024683
2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 3292217
2-(3-methylphenoxy)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024920
3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743
(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42278690

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (CID 121024696) is 2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The InChIKey is RICONBAIGFIVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c1-13-5-6-15(21-26-18-4-3-11-24-22(18)29-21)12-19(13)25-20(27)14(2)28-17-9-7-16(23)8-10-17/h3-12,14H,1-2H3,(H,25,27).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide has a molecular weight of 407.47 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 121024696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).