[4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol

C9H13NO3S2 — CID 115046099

IUPAC[4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol
SMILESCc1sc(CO)nc1C1CCS(=O)(=O)C1
InChIInChI=1S/C9H13NO3S2/c1-6-9(10-8(4-11)14-6)7-2-3-15(12,13)5-7/h7,11H,2-5H2,1H3
InChIKeyDAVOIFKNNBOYJR-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.85
Rot. Bonds2

About [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol

[4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol (PubChem CID 115046099) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol
PubChem CID115046099
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name[4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol
SMILESCc1sc(CO)nc1C1CCS(=O)(=O)C1
InChIInChI=1S/C9H13NO3S2/c1-6-9(10-8(4-11)14-6)7-2-3-15(12,13)5-7/h7,11H,2-5H2,1H3
InChIKeyDAVOIFKNNBOYJR-UHFFFAOYSA-N
XLogP0.85
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol with MolForge

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Related Compounds

[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]methanol
CID 115021751
ethyl 2-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526256
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 115337336
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-one
CID 105120796
2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838235
2-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-4-carboxylic acid
CID 115337398
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
CID 105171707
3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
CID 115338662
2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol
CID 130501450
3-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 115337078
3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide
CID 115338666
2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 113289879

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol (CID 115046099) is [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol is Cc1sc(CO)nc1C1CCS(=O)(=O)C1.
What is the InChIKey of [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol?
The InChIKey is DAVOIFKNNBOYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-6-9(10-8(4-11)14-6)7-2-3-15(12,13)5-7/h7,11H,2-5H2,1H3.
What are the key properties of [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol?
[4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol has a molecular weight of 247.34 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 115046099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).