2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C7H8N4OS — CID 137267619

IUPAC2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCC/N=C1\N=C2N=CNC(=O)C2S1
InChIInChI=1S/C7H8N4OS/c1-2-8-7-11-5-4(13-7)6(12)10-3-9-5/h3-4H,2H2,1H3,(H,8,9,10,11,12)
InChIKeyXRURNZODJVDLCY-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.03
Rot. Bonds1

About 2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 137267619) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID137267619
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCC/N=C1\N=C2N=CNC(=O)C2S1
InChIInChI=1S/C7H8N4OS/c1-2-8-7-11-5-4(13-7)6(12)10-3-9-5/h3-4H,2H2,1H3,(H,8,9,10,11,12)
InChIKeyXRURNZODJVDLCY-UHFFFAOYSA-N
XLogP0.03
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 137263668
6-bromo-3,4a-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 170903679
ethyl 4-oxo-3,4a-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 156591866
8-iodo-1,5-dihydropurin-6-one
CID 135747550
8-[(E)-[2-chloroethyl(propan-2-yl)amino]diazenyl]-1,5-dihydropurin-6-one
CID 135573456
2-ethylimino-5-(1,3-thiazol-2-yl)imidazolidin-4-one
CID 136706810
5-ethyliminoimidazol-2-one
CID 171475570
4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137229679
6-methyl-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-4-one
CID 50938277
(5R)-5-amino-1H-pyrimidine-4,6-dione
CID 98071290
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
2-[(5S)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135836345

Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 137267619) is 2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one is CC/N=C1\N=C2N=CNC(=O)C2S1.
What is the InChIKey of 2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is XRURNZODJVDLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-2-8-7-11-5-4(13-7)6(12)10-3-9-5/h3-4H,2H2,1H3,(H,8,9,10,11,12).
What are the key properties of 2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 196.23 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-6,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 137267619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).