1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one

C7H13NO2S — CID 20648598

IUPAC1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1CCSC1CO
InChIInChI=1S/C7H13NO2S/c1-2-6(10)8-3-4-11-7(8)5-9/h7,9H,2-5H2,1H3
InChIKeyFLKSMIXXAMUKSL-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.29
Rot. Bonds2

About 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one

1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 20648598) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID20648598
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1CCSC1CO
InChIInChI=1S/C7H13NO2S/c1-2-6(10)8-3-4-11-7(8)5-9/h7,9H,2-5H2,1H3
InChIKeyFLKSMIXXAMUKSL-UHFFFAOYSA-N
XLogP0.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-4-thiazolidinone
CID 11955010
4-Thiazolidinone, 3-(2-hydroxyethyl)-
CID 3685883
N-(2-hydroxypropyl)-thiazolidine-2,4-dione
CID 60879512
3-(2-Hydroxy-3-r-propyl)-thiazolidine-2,4-dione
CID 129789684
3-(2-Hydroxyethyl)thiazolidine-2,4-dione
CID 12231218
1-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one
CID 20648621
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648622
3-Propanoyl-1,3-thiazolidine-2-carboxylic acid
CID 20648923
1-[1-(2-Hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one
CID 22981903
1-[1-(2-Hydroxyethylsulfanyl)propyl]pyrrolidin-2-one
CID 60022161
1-(2-Hydroxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 70560201
2-Hydroxy-1-(1,3-thiazolidin-3-yl)butan-1-one
CID 131154012

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 20648598) is 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one is CCC(=O)N1CCSC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is FLKSMIXXAMUKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-6(10)8-3-4-11-7(8)5-9/h7,9H,2-5H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one?
1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 175.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 20648598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).