3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione

C8H9N3O2S — CID 167866725

IUPAC3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1Cc1cncs1
InChIInChI=1S/C8H9N3O2S/c12-7-1-2-10-8(13)11(7)4-6-3-9-5-14-6/h3,5H,1-2,4H2,(H,10,13)
InChIKeyOLDSNESFRBGAJU-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.58
Rot. Bonds2

About 3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione

3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione (PubChem CID 167866725) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione
PubChem CID167866725
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1Cc1cncs1
InChIInChI=1S/C8H9N3O2S/c12-7-1-2-10-8(13)11(7)4-6-3-9-5-14-6/h3,5H,1-2,4H2,(H,10,13)
InChIKeyOLDSNESFRBGAJU-UHFFFAOYSA-N
XLogP0.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione (CID 167866725) is 3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione is O=C1CCNC(=O)N1Cc1cncs1.
What is the InChIKey of 3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione?
The InChIKey is OLDSNESFRBGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c12-7-1-2-10-8(13)11(7)4-6-3-9-5-14-6/h3,5H,1-2,4H2,(H,10,13).
What are the key properties of 3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione?
3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione has a molecular weight of 211.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-ylmethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167866725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).