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

C21H23FN8O2S — CID 89034505

IUPAC1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-[5-(methylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCNc1cncc(-c2ccc3nc(NC(=O)NCCc4noc(C(C)(C)CF)n4)sc3n2)c1
InChIInChI=1S/C21H23FN8O2S/c1-21(2,11-22)18-28-16(30-32-18)6-7-25-19(31)29-20-27-15-5-4-14(26-17(15)33-20)12-8-13(23-3)10-24-9-12/h4-5,8-10,23H,6-7,11H2,1-3H3,(H2,25,27,29,31)
InChIKeyHYIHHQPGJDQUFW-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.79
Rot. Bonds8

About 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-[5-(methylamino)-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-(methylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (PubChem CID 89034505) has the molecular formula C21H23FN8O2S and a molecular weight of 470.53 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-(methylamino)-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-(methylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
PubChem CID89034505
Molecular FormulaC21H23FN8O2S
Molecular Weight470.53 g/mol
Exact Mass470.16
IUPAC Name1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-[5-(methylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
SMILESCNc1cncc(-c2ccc3nc(NC(=O)NCCc4noc(C(C)(C)CF)n4)sc3n2)c1
InChIInChI=1S/C21H23FN8O2S/c1-21(2,11-22)18-28-16(30-32-18)6-7-25-19(31)29-20-27-15-5-4-14(26-17(15)33-20)12-8-13(23-3)10-24-9-12/h4-5,8-10,23H,6-7,11H2,1-3H3,(H2,25,27,29,31)
InChIKeyHYIHHQPGJDQUFW-UHFFFAOYSA-N
XLogP3.79
TPSA130.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-[5-(methylamino)-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-(methylamino)-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-(methylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea (CID 89034505) is 1-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-3-[5-[5-(methylamino)-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-(methylamino)-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-(methylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is CNc1cncc(-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-(methylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea?
The InChIKey is HYIHHQPGJDQUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8O2S/c1-21(2,11-22)18-28-16(30-32-18)6-7-25-19(31)29-20-27-15-5-4-14(26-17(15)33-20)12-8-13(23-3)10-24-9-12/h4-5,8-10,23H,6-7,11H2,1-3H3,(H2,25,27,29,31).
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-(methylamino)-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-(methylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea has a molecular weight of 470.53 g/mol, XLogP of 3.79, 8 rotatable bonds, 3 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-(methylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea is sourced from PubChem (CID 89034505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).