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

C22H25FN8O2S — CID 46931337

IUPAC1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESCN(C)c1cncc(-c2ccc3nc(NC(=O)NCCc4noc(C(C)(C)CF)n4)sc3n2)c1
InChIInChI=1S/C22H25FN8O2S/c1-22(2,12-23)19-28-17(30-33-19)7-8-25-20(32)29-21-27-16-6-5-15(26-18(16)34-21)13-9-14(31(3)4)11-24-10-13/h5-6,9-11H,7-8,12H2,1-4H3,(H2,25,27,29,32)
InChIKeyKYVYXBZOPQRECN-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.81
Rot. Bonds8

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

1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea (PubChem CID 46931337) has the molecular formula C22H25FN8O2S and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
PubChem CID46931337
Molecular FormulaC22H25FN8O2S
Molecular Weight484.56 g/mol
Exact Mass484.18
IUPAC Name1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
SMILESCN(C)c1cncc(-c2ccc3nc(NC(=O)NCCc4noc(C(C)(C)CF)n4)sc3n2)c1
InChIInChI=1S/C22H25FN8O2S/c1-22(2,12-23)19-28-17(30-33-19)7-8-25-20(32)29-21-27-16-6-5-15(26-18(16)34-21)13-9-14(31(3)4)11-24-10-13/h5-6,9-11H,7-8,12H2,1-4H3,(H2,25,27,29,32)
InChIKeyKYVYXBZOPQRECN-UHFFFAOYSA-N
XLogP3.81
TPSA121.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-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-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The IUPAC name of 1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea (CID 46931337) is 1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea.
What is the SMILES notation for 1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The canonical SMILES for 1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea is CN(C)c1cncc(-c2ccc3nc(NC(=O)NCCc4noc(C(C)(C)CF)n4)sc3n2)c1.
What is the InChIKey of 1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
The InChIKey is KYVYXBZOPQRECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O2S/c1-22(2,12-23)19-28-17(30-33-19)7-8-25-20(32)29-21-27-16-6-5-15(26-18(16)34-21)13-9-14(31(3)4)11-24-10-13/h5-6,9-11H,7-8,12H2,1-4H3,(H2,25,27,29,32).
What are the key properties of 1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea?
1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea has a molecular weight of 484.56 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(dimethylamino)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea is sourced from PubChem (CID 46931337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).