3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one

C7H13NO2S — CID 15272957

IUPAC3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCC1SCC(=O)N1CCCO
InChIInChI=1S/C7H13NO2S/c1-6-8(3-2-4-9)7(10)5-11-6/h6,9H,2-5H2,1H3
InChIKeyNWGPVKAKWOHYFX-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.29
Rot. Bonds3

About 3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one

3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one (PubChem CID 15272957) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
PubChem CID15272957
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one
SMILESCC1SCC(=O)N1CCCO
InChIInChI=1S/C7H13NO2S/c1-6-8(3-2-4-9)7(10)5-11-6/h6,9H,2-5H2,1H3
InChIKeyNWGPVKAKWOHYFX-UHFFFAOYSA-N
XLogP0.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

3-(3-Hydroxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122707196
N-(3-hydroxypropyl)-4-thiazolidinone
CID 11955010
N-(3-hydroxy-1-oxoprop-1-yl)thiazolidinethione
CID 169502306
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648598
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648622
1-[1-(2-Hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one
CID 22981903
N-[1-(2-hydroxyethylsulfanyl)ethyl]-N-methylacetamide
CID 22981931
Bis(2-hydroxyethyl)-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanium
CID 23535087
3-(3-Hydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 43509836
3-(3-Methoxy-n-propyl)-2,4-thiazolidinedione
CID 86183559
2-(2-Hydroxyethyl)-1,3-thiazolidin-4-one
CID 105429078
3-(3-Hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-2-one
CID 141264152

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one (CID 15272957) is 3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one is CC1SCC(=O)N1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one?
The InChIKey is NWGPVKAKWOHYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-6-8(3-2-4-9)7(10)5-11-6/h6,9H,2-5H2,1H3.
What are the key properties of 3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one?
3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one has a molecular weight of 175.25 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 15272957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).