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

C21H22FN7O3S — CID 46931332

IUPAC1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCOc1cncc(-c2ccc3nc(NC(=O)NCCc4noc(C(C)(C)CF)n4)sc3n2)c1
InChIInChI=1S/C21H22FN7O3S/c1-21(2,11-22)18-27-16(29-32-18)6-7-24-19(30)28-20-26-15-5-4-14(25-17(15)33-20)12-8-13(31-3)10-23-9-12/h4-5,8-10H,6-7,11H2,1-3H3,(H2,24,26,28,30)
InChIKeyCZPUFNCQELZSBJ-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.76
Rot. Bonds8

About 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-[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-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 46931332) has the molecular formula C21H22FN7O3S and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-[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-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
PubChem CID46931332
Molecular FormulaC21H22FN7O3S
Molecular Weight471.52 g/mol
Exact Mass471.15
IUPAC Name1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCOc1cncc(-c2ccc3nc(NC(=O)NCCc4noc(C(C)(C)CF)n4)sc3n2)c1
InChIInChI=1S/C21H22FN7O3S/c1-21(2,11-22)18-27-16(29-32-18)6-7-24-19(30)28-20-26-15-5-4-14(25-17(15)33-20)12-8-13(31-3)10-23-9-12/h4-5,8-10H,6-7,11H2,1-3H3,(H2,24,26,28,30)
InChIKeyCZPUFNCQELZSBJ-UHFFFAOYSA-N
XLogP3.76
TPSA127.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-[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-(5-methoxy-3-pyridinyl)-[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-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 46931332) is 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-[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-(5-methoxy-3-pyridinyl)-[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-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is COc1cncc(-c2ccc3nc(NC(=O)NCCc4noc(C(C)(C)CF)n4)sc3n2)c1.
What is the InChIKey of 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The InChIKey is CZPUFNCQELZSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O3S/c1-21(2,11-22)18-27-16(29-32-18)6-7-24-19(30)28-20-26-15-5-4-14(25-17(15)33-20)12-8-13(31-3)10-23-9-12/h4-5,8-10H,6-7,11H2,1-3H3,(H2,24,26,28,30).
What are the key properties of 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-[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-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea has a molecular weight of 471.52 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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-(5-methoxy-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 46931332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).