3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione

C11H13N3O3S — CID 91288898

IUPAC3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione
SMILESCC(=O)Cc1nsc2c1C(=O)NCCCNC2=O
InChIInChI=1S/C11H13N3O3S/c1-6(15)5-7-8-9(18-14-7)11(17)13-4-2-3-12-10(8)16/h2-5H2,1H3,(H,12,16)(H,13,17)
InChIKeySLSZINRQHVAMFM-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.14
Rot. Bonds2

About 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione

3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione (PubChem CID 91288898) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione.

Molecular Properties

Compound Name3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione
PubChem CID91288898
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione
SMILESCC(=O)Cc1nsc2c1C(=O)NCCCNC2=O
InChIInChI=1S/C11H13N3O3S/c1-6(15)5-7-8-9(18-14-7)11(17)13-4-2-3-12-10(8)16/h2-5H2,1H3,(H,12,16)(H,13,17)
InChIKeySLSZINRQHVAMFM-UHFFFAOYSA-N
XLogP0.14
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione with MolForge

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Related Compounds

3-ethyl-4-methyl-N-propan-2-yl-1,2-thiazole-5-carboxamide
CID 21616753
3-Ethyl-5-methyl-6,7-dihydro-[1,2]thiazolo[4,5-c]pyridin-4-one
CID 57678042
5-[1-(3-Aminopropanoylamino)cyclohexyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 132210924
5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide
CID 86214824
3-Methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
CID 96628022

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione?
The IUPAC name of 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione (CID 91288898) is 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione.
What is the SMILES notation for 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione?
The canonical SMILES for 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione is CC(=O)Cc1nsc2c1C(=O)NCCCNC2=O.
What is the InChIKey of 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione?
The InChIKey is SLSZINRQHVAMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-6(15)5-7-8-9(18-14-7)11(17)13-4-2-3-12-10(8)16/h2-5H2,1H3,(H,12,16)(H,13,17).
What are the key properties of 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione?
3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione has a molecular weight of 267.31 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione is sourced from PubChem (CID 91288898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).