1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea

C20H18F3N7O2S — CID 89034753

IUPAC1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESCC(CC(F)(F)F)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccnc4)nc3s2)no1
InChIInChI=1S/C20H18F3N7O2S/c1-11(9-20(21,22)23)16-28-15(30-32-16)6-8-25-18(31)29-19-27-14-5-4-13(26-17(14)33-19)12-3-2-7-24-10-12/h2-5,7,10-11H,6,8-9H2,1H3,(H2,25,27,29,31)
InChIKeyFSAQJHSZRXOEEX-UHFFFAOYSA-N
MW477.47 g/mol
LogP4.56
Rot. Bonds7

About 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea

1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea (PubChem CID 89034753) has the molecular formula C20H18F3N7O2S and a molecular weight of 477.47 g/mol. Its IUPAC name is 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
PubChem CID89034753
Molecular FormulaC20H18F3N7O2S
Molecular Weight477.47 g/mol
Exact Mass477.12
IUPAC Name1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESCC(CC(F)(F)F)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccnc4)nc3s2)no1
InChIInChI=1S/C20H18F3N7O2S/c1-11(9-20(21,22)23)16-28-15(30-32-16)6-8-25-18(31)29-19-27-14-5-4-13(26-17(14)33-19)12-3-2-7-24-10-12/h2-5,7,10-11H,6,8-9H2,1H3,(H2,25,27,29,31)
InChIKeyFSAQJHSZRXOEEX-UHFFFAOYSA-N
XLogP4.56
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The IUPAC name of 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea (CID 89034753) is 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea.
What is the SMILES notation for 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The canonical SMILES for 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea is CC(CC(F)(F)F)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccnc4)nc3s2)no1.
What is the InChIKey of 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The InChIKey is FSAQJHSZRXOEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O2S/c1-11(9-20(21,22)23)16-28-15(30-32-16)6-8-25-18(31)29-19-27-14-5-4-13(26-17(14)33-19)12-3-2-7-24-10-12/h2-5,7,10-11H,6,8-9H2,1H3,(H2,25,27,29,31).
What are the key properties of 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea has a molecular weight of 477.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea is sourced from PubChem (CID 89034753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).