3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C13H13N5O3S — CID 167931320

IUPAC3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1c1cnn(-c2nccs2)c1
InChIInChI=1S/C13H13N5O3S/c19-10-13(1-4-21-5-2-13)16-11(20)18(10)9-7-15-17(8-9)12-14-3-6-22-12/h3,6-8H,1-2,4-5H2,(H,16,20)
InChIKeyFLSYPKCTEMPFKW-UHFFFAOYSA-N
MW319.35 g/mol
LogP0.93
Rot. Bonds2

About 3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 167931320) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID167931320
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1c1cnn(-c2nccs2)c1
InChIInChI=1S/C13H13N5O3S/c19-10-13(1-4-21-5-2-13)16-11(20)18(10)9-7-15-17(8-9)12-14-3-6-22-12/h3,6-8H,1-2,4-5H2,(H,16,20)
InChIKeyFLSYPKCTEMPFKW-UHFFFAOYSA-N
XLogP0.93
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 167931320) is 3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCOCC2)C(=O)N1c1cnn(-c2nccs2)c1.
What is the InChIKey of 3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FLSYPKCTEMPFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c19-10-13(1-4-21-5-2-13)16-11(20)18(10)9-7-15-17(8-9)12-14-3-6-22-12/h3,6-8H,1-2,4-5H2,(H,16,20).
What are the key properties of 3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 319.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 167931320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).