4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one

C18H17N5O2S — CID 118395016

IUPAC4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one
SMILESO=C1NCCN(c2ncc(-c3cccc(Nc4nccs4)c3)o2)C12CC2
InChIInChI=1S/C18H17N5O2S/c24-15-18(4-5-18)23(8-6-19-15)17-21-11-14(25-17)12-2-1-3-13(10-12)22-16-20-7-9-26-16/h1-3,7,9-11H,4-6,8H2,(H,19,24)(H,20,22)
InChIKeyRAYTWKUFSLXLJY-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.01
Rot. Bonds4

About 4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one

4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one (PubChem CID 118395016) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one
PubChem CID118395016
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one
SMILESO=C1NCCN(c2ncc(-c3cccc(Nc4nccs4)c3)o2)C12CC2
InChIInChI=1S/C18H17N5O2S/c24-15-18(4-5-18)23(8-6-19-15)17-21-11-14(25-17)12-2-1-3-13(10-12)22-16-20-7-9-26-16/h1-3,7,9-11H,4-6,8H2,(H,19,24)(H,20,22)
InChIKeyRAYTWKUFSLXLJY-UHFFFAOYSA-N
XLogP3.01
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
The IUPAC name of 4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one (CID 118395016) is 4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one.
What is the SMILES notation for 4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
The canonical SMILES for 4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one is O=C1NCCN(c2ncc(-c3cccc(Nc4nccs4)c3)o2)C12CC2.
What is the InChIKey of 4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
The InChIKey is RAYTWKUFSLXLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-15-18(4-5-18)23(8-6-19-15)17-21-11-14(25-17)12-2-1-3-13(10-12)22-16-20-7-9-26-16/h1-3,7,9-11H,4-6,8H2,(H,19,24)(H,20,22).
What are the key properties of 4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one?
4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one has a molecular weight of 367.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(1,3-thiazol-2-ylamino)phenyl]-1,3-oxazol-2-yl]-4,7-diazaspiro[2.5]octan-8-one is sourced from PubChem (CID 118395016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).