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

C9H13NO3S2 — CID 112642657

IUPAC1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol
SMILESO=S1(=O)CCC(C(O)Cc2cncs2)C1
InChIInChI=1S/C9H13NO3S2/c11-9(3-8-4-10-6-14-8)7-1-2-15(12,13)5-7/h4,6-7,9,11H,1-3,5H2
InChIKeyJDKYTIHGOFORAV-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.48
Rot. Bonds3

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

1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 112642657) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID112642657
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol
SMILESO=S1(=O)CCC(C(O)Cc2cncs2)C1
InChIInChI=1S/C9H13NO3S2/c11-9(3-8-4-10-6-14-8)7-1-2-15(12,13)5-7/h4,6-7,9,11H,1-3,5H2
InChIKeyJDKYTIHGOFORAV-UHFFFAOYSA-N
XLogP0.48
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642567
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642454
1-(1,1-dioxothiolan-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 113289702
1-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461707
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642536
2-(2,5-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336404
1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol
CID 82279875
(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
CID 124595713
1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol
CID 64904593
1-cyclopentyl-2-(1,3-thiazol-5-yl)ethanamine
CID 82399288
3-[1-chloro-3-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]thiolane 1,1-dioxide
CID 66035081
1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 103457418

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol (CID 112642657) is 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol is O=S1(=O)CCC(C(O)Cc2cncs2)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is JDKYTIHGOFORAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c11-9(3-8-4-10-6-14-8)7-1-2-15(12,13)5-7/h4,6-7,9,11H,1-3,5H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol?
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 247.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 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)ethanol is sourced from PubChem (CID 112642657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).