1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone

C9H11NO3S2 — CID 112642454

IUPAC1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H11NO3S2/c11-9(3-8-4-10-6-14-8)7-1-2-15(12,13)5-7/h4,6-7H,1-3,5H2
InChIKeyFSLFFYSQOHFHES-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.69
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone

1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 112642454) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID112642454
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H11NO3S2/c11-9(3-8-4-10-6-14-8)7-1-2-15(12,13)5-7/h4,6-7H,1-3,5H2
InChIKeyFSLFFYSQOHFHES-UHFFFAOYSA-N
XLogP0.69
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642357
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
1-(4-ethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642350
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642657
1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 107004005
2-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 64904345
1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone
CID 64906632
2-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 113289654
1-(1,1-dioxothiolan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 64904975
1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one
CID 116555141
1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one
CID 115796129

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 112642454) is 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is FSLFFYSQOHFHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S2/c11-9(3-8-4-10-6-14-8)7-1-2-15(12,13)5-7/h4,6-7H,1-3,5H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 245.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).