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

C20H20FN7O2S — CID 89034224

IUPAC1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCC(C)(CF)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccnc4)nc3s2)no1
InChIInChI=1S/C20H20FN7O2S/c1-20(2,11-21)17-26-15(28-30-17)7-9-23-18(29)27-19-25-14-6-5-13(24-16(14)31-19)12-4-3-8-22-10-12/h3-6,8,10H,7,9,11H2,1-2H3,(H2,23,25,27,29)
InChIKeyCTBQYOAOQWTIHO-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.75
Rot. Bonds7

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

1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (PubChem CID 89034224) has the molecular formula C20H20FN7O2S and a molecular weight of 441.49 g/mol. Its IUPAC name is 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
PubChem CID89034224
Molecular FormulaC20H20FN7O2S
Molecular Weight441.49 g/mol
Exact Mass441.14
IUPAC Name1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCC(C)(CF)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccnc4)nc3s2)no1
InChIInChI=1S/C20H20FN7O2S/c1-20(2,11-21)17-26-15(28-30-17)7-9-23-18(29)27-19-25-14-6-5-13(24-16(14)31-19)12-4-3-8-22-10-12/h3-6,8,10H,7,9,11H2,1-2H3,(H2,23,25,27,29)
InChIKeyCTBQYOAOQWTIHO-UHFFFAOYSA-N
XLogP3.75
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The IUPAC name of 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (CID 89034224) is 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The canonical SMILES for 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is CC(C)(CF)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccnc4)nc3s2)no1.
What is the InChIKey of 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The InChIKey is CTBQYOAOQWTIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2S/c1-20(2,11-21)17-26-15(28-30-17)7-9-23-18(29)27-19-25-14-6-5-13(24-16(14)31-19)12-4-3-8-22-10-12/h3-6,8,10H,7,9,11H2,1-2H3,(H2,23,25,27,29).
What are the key properties of 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea has a molecular weight of 441.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is sourced from PubChem (CID 89034224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).