2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C22H17FN4O2S — CID 72720057

IUPAC2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1
InChIInChI=1S/C22H17FN4O2S/c23-18-5-1-2-6-20(18)29-13-21(28)25-16-9-7-15(8-10-16)19-14-30-22(27-19)26-17-4-3-11-24-12-17/h1-12,14H,13H2,(H,25,28)(H,26,27)
InChIKeyWVEYGHHMQQRSTO-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.11
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide

2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 72720057) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID72720057
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC Name2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1
InChIInChI=1S/C22H17FN4O2S/c23-18-5-1-2-6-20(18)29-13-21(28)25-16-9-7-15(8-10-16)19-14-30-22(27-19)26-17-4-3-11-24-12-17/h1-12,14H,13H2,(H,25,28)(H,26,27)
InChIKeyWVEYGHHMQQRSTO-UHFFFAOYSA-N
XLogP5.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 72720057) is 2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide is O=C(COc1ccccc1F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is WVEYGHHMQQRSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c23-18-5-1-2-6-20(18)29-13-21(28)25-16-9-7-15(8-10-16)19-14-30-22(27-19)26-17-4-3-11-24-12-17/h1-12,14H,13H2,(H,25,28)(H,26,27).
What are the key properties of 2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 72720057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).